7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H27N5O3 — CID 136928141

IUPAC7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(OC3CCOCC3)cc2)nn2c1NCCC2c1ccccc1N
InChIInChI=1S/C24H27N5O3/c25-19-4-2-1-3-18(19)20-9-12-27-24-21(23(26)30)22(28-29(20)24)15-5-7-16(8-6-15)32-17-10-13-31-14-11-17/h1-8,17,20,27H,9-14,25H2,(H2,26,30)
InChIKeyYOLWNJRNOPGCBF-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.19
Rot. Bonds5

About 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136928141) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136928141
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(OC3CCOCC3)cc2)nn2c1NCCC2c1ccccc1N
InChIInChI=1S/C24H27N5O3/c25-19-4-2-1-3-18(19)20-9-12-27-24-21(23(26)30)22(28-29(20)24)15-5-7-16(8-6-15)32-17-10-13-31-14-11-17/h1-8,17,20,27H,9-14,25H2,(H2,26,30)
InChIKeyYOLWNJRNOPGCBF-UHFFFAOYSA-N
XLogP3.19
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(2-aminophenyl)-2-(4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137032437
2-[3-(aminomethyl)-2-(4-cyclopentyloxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
CID 151783408
(7R)-7-(3-aminophenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137228120
2-[4-(4-fluorophenoxy)phenyl]-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983709
(7S)-2-(4-phenylmethoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137228132
7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144736035
(7S)-2-(4-phenylmethoxyphenyl)-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163402557
(7S)-2-(4-phenoxyphenyl)-7-[3-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137228128
7-[3-(3-chloropropanoylamino)cyclohexa-1,3-dien-1-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137138564
7-[(but-2-ynoylamino)methyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983705
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-(3,5-dimethoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171355037

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136928141) is 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(-c2ccc(OC3CCOCC3)cc2)nn2c1NCCC2c1ccccc1N.
What is the InChIKey of 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YOLWNJRNOPGCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c25-19-4-2-1-3-18(19)20-9-12-27-24-21(23(26)30)22(28-29(20)24)15-5-7-16(8-6-15)32-17-10-13-31-14-11-17/h1-8,17,20,27H,9-14,25H2,(H2,26,30).
What are the key properties of 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminophenyl)-2-[4-(oxan-4-yloxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136928141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).