N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20N6O — CID 55958474

IUPACN-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nccn1CCCNC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C20H20N6O/c1-15-21-11-13-25(15)12-5-9-23-20(27)17-14-24-26-18(8-10-22-19(17)26)16-6-3-2-4-7-16/h2-4,6-8,10-11,13-14H,5,9,12H2,1H3,(H,23,27)
InChIKeySIKYODJLZXRBKL-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.72
Rot. Bonds6

About N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55958474) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55958474
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nccn1CCCNC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C20H20N6O/c1-15-21-11-13-25(15)12-5-9-23-20(27)17-14-24-26-18(8-10-22-19(17)26)16-6-3-2-4-7-16/h2-4,6-8,10-11,13-14H,5,9,12H2,1H3,(H,23,27)
InChIKeySIKYODJLZXRBKL-UHFFFAOYSA-N
XLogP2.72
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327901
N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55828845
N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46488049
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46491033
N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46974570
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19329969
N-(2-hydroxy-2-phenylethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75403724
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55958474) is N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nccn1CCCNC(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SIKYODJLZXRBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-15-21-11-13-25(15)12-5-9-23-20(27)17-14-24-26-18(8-10-22-19(17)26)16-6-3-2-4-7-16/h2-4,6-8,10-11,13-14H,5,9,12H2,1H3,(H,23,27).
What are the key properties of N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55958474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).