7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H12N6 — CID 4774562

IUPAC7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCn1cc(-c2ccnc3c(C#N)cnn23)c(C)n1
InChIInChI=1S/C13H12N6/c1-3-18-8-11(9(2)17-18)12-4-5-15-13-10(6-14)7-16-19(12)13/h4-5,7-8H,3H2,1-2H3
InChIKeyRMKONCNLSYNCEI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds2

About 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4774562) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4774562
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCn1cc(-c2ccnc3c(C#N)cnn23)c(C)n1
InChIInChI=1S/C13H12N6/c1-3-18-8-11(9(2)17-18)12-4-5-15-13-10(6-14)7-16-19(12)13/h4-5,7-8H,3H2,1-2H3
InChIKeyRMKONCNLSYNCEI-UHFFFAOYSA-N
XLogP1.79
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4765648
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441308
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416490
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416584
[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19441871
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methoxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414812
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416566
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416540

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4774562) is 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCn1cc(-c2ccnc3c(C#N)cnn23)c(C)n1.
What is the InChIKey of 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RMKONCNLSYNCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-3-18-8-11(9(2)17-18)12-4-5-15-13-10(6-14)7-16-19(12)13/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4774562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).