7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H18N6OS — CID 19468755

IUPAC7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(-c2ccnc3cc(C(=O)NCCS)nn23)c1C
InChIInChI=1S/C15H18N6OS/c1-3-20-10(2)11(9-18-20)13-4-5-16-14-8-12(19-21(13)14)15(22)17-6-7-23/h4-5,8-9,23H,3,6-7H2,1-2H3,(H,17,22)
InChIKeyIBSJMBAMGIZHSX-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.58
Rot. Bonds5

About 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468755) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19468755
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(-c2ccnc3cc(C(=O)NCCS)nn23)c1C
InChIInChI=1S/C15H18N6OS/c1-3-20-10(2)11(9-18-20)13-4-5-16-14-8-12(19-21(13)14)15(22)17-6-7-23/h4-5,8-9,23H,3,6-7H2,1-2H3,(H,17,22)
InChIKeyIBSJMBAMGIZHSX-UHFFFAOYSA-N
XLogP1.58
TPSA77.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468764
methyl 2-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19414314
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468807
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
N-cyclohexyl-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468763
7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466483
dimethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19468661
N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19414430
7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19581526
ethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19414384
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441266
7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441256

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468755) is 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(-c2ccnc3cc(C(=O)NCCS)nn23)c1C.
What is the InChIKey of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IBSJMBAMGIZHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-3-20-10(2)11(9-18-20)13-4-5-16-14-8-12(19-21(13)14)15(22)17-6-7-23/h4-5,8-9,23H,3,6-7H2,1-2H3,(H,17,22).
What are the key properties of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 330.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).