7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21N5O — CID 53109671

IUPAC7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NC(C)c4ccncc4)cnn23)cc1C
InChIInChI=1S/C22H21N5O/c1-14-4-5-18(12-15(14)2)20-8-11-24-21-19(13-25-27(20)21)22(28)26-16(3)17-6-9-23-10-7-17/h4-13,16H,1-3H3,(H,26,28)
InChIKeyVHGIJBUWNWJOGJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.90
Rot. Bonds4

About 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 53109671) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID53109671
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NC(C)c4ccncc4)cnn23)cc1C
InChIInChI=1S/C22H21N5O/c1-14-4-5-18(12-15(14)2)20-8-11-24-21-19(13-25-27(20)21)22(28)26-16(3)17-6-9-23-10-7-17/h4-13,16H,1-3H3,(H,26,28)
InChIKeyVHGIJBUWNWJOGJ-UHFFFAOYSA-N
XLogP3.90
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109662
7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46167866
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19415119
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
7-(3-methylphenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24712200
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55909145
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855267
5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4748611
ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 12766264

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 53109671) is 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)NC(C)c4ccncc4)cnn23)cc1C.
What is the InChIKey of 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VHGIJBUWNWJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-4-5-18(12-15(14)2)20-8-11-24-21-19(13-25-27(20)21)22(28)26-16(3)17-6-9-23-10-7-17/h4-13,16H,1-3H3,(H,26,28).
What are the key properties of 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53109671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).