N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22N6O — CID 19415119

IUPACN-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cnn2c(-c3ccc(C)cc3)ccnc12
InChIInChI=1S/C21H22N6O/c1-4-26-18(10-12-23-26)15(3)25-21(28)17-13-24-27-19(9-11-22-20(17)27)16-7-5-14(2)6-8-16/h5-13,15H,4H2,1-3H3,(H,25,28)
InChIKeyGMOCTJBXYZDMMP-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.41
Rot. Bonds5

About N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19415119) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19415119
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cnn2c(-c3ccc(C)cc3)ccnc12
InChIInChI=1S/C21H22N6O/c1-4-26-18(10-12-23-26)15(3)25-21(28)17-13-24-27-19(9-11-22-20(17)27)16-7-5-14(2)6-8-16/h5-13,15H,4H2,1-3H3,(H,25,28)
InChIKeyGMOCTJBXYZDMMP-UHFFFAOYSA-N
XLogP3.41
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109671
methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
CID 19440492
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513124
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19404572
2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414972

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19415119) is N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1nccc1C(C)NC(=O)c1cnn2c(-c3ccc(C)cc3)ccnc12.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GMOCTJBXYZDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-4-26-18(10-12-23-26)15(3)25-21(28)17-13-24-27-19(9-11-22-20(17)27)16-7-5-14(2)6-8-16/h5-13,15H,4H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19415119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).