2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal

C26H31N5O3 — CID 144736056

IUPAC2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal
SMILESC=CC=O.CNc1ccccc1C1(C)CCNc2c(C(N)=O)c(-c3ccc(C)c(OC)c3)nn21
InChIInChI=1S/C23H27N5O2.C3H4O/c1-14-9-10-15(13-18(14)30-4)20-19(21(24)29)22-26-12-11-23(2,28(22)27-20)16-7-5-6-8-17(16)25-3;1-2-3-4/h5-10,13,25-26H,11-12H2,1-4H3,(H2,24,29);2-3H,1H2
InChIKeyZQKLWRFQFZSGCJ-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.96
Rot. Bonds6

About 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal

2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal (PubChem CID 144736056) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal
PubChem CID144736056
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal
SMILESC=CC=O.CNc1ccccc1C1(C)CCNc2c(C(N)=O)c(-c3ccc(C)c(OC)c3)nn21
InChIInChI=1S/C23H27N5O2.C3H4O/c1-14-9-10-15(13-18(14)30-4)20-19(21(24)29)22-26-12-11-23(2,28(22)27-20)16-7-5-6-8-17(16)25-3;1-2-3-4/h5-10,13,25-26H,11-12H2,1-4H3,(H2,24,29);2-3H,1H2
InChIKeyZQKLWRFQFZSGCJ-UHFFFAOYSA-N
XLogP3.96
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144736035
7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146654375
2-(3,5-dimethoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171355037
7-methyl-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983797
7-[2-(prop-2-enoylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983712
2-(3-methoxy-4-phenoxyphenyl)-7-(1-prop-2-enylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137072734
2-(3-methoxy-4-phenoxyphenyl)-7-(1-prop-2-enoylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136970125
2-(3,5-dichloro-4-methoxyphenyl)-7-[2-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde;methanamine;prop-2-enal
CID 144736249
8-tert-butyl-2-[4-[[(3-methoxypyridine-2-carbonyl)amino]methyl]-3-methylphenyl]-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 174303993
(7R)-2-(3,5-dimethoxy-4-methylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146623167
2-(4-methoxy-1-methylindol-6-yl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171343602
5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal (CID 144736056) is 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal is C=CC=O.CNc1ccccc1C1(C)CCNc2c(C(N)=O)c(-c3ccc(C)c(OC)c3)nn21.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal?
The InChIKey is ZQKLWRFQFZSGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.C3H4O/c1-14-9-10-15(13-18(14)30-4)20-19(21(24)29)22-26-12-11-23(2,28(22)27-20)16-7-5-6-8-17(16)25-3;1-2-3-4/h5-10,13,25-26H,11-12H2,1-4H3,(H2,24,29);2-3H,1H2.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal?
2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal has a molecular weight of 461.57 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-7-methyl-7-[2-(methylamino)phenyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enal is sourced from PubChem (CID 144736056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).