3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H15N5OS — CID 135653607

IUPAC3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccs2)n2ncc(C#N)c2N1
InChIInChI=1S/C19H15N5OS/c1-12-16(19(25)23-14-6-3-2-4-7-14)17(15-8-5-9-26-15)24-18(22-12)13(10-20)11-21-24/h2-9,11,17,22H,1H3,(H,23,25)
InChIKeySYGHDZGHBAQFOP-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.74
Rot. Bonds3

About 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135653607) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135653607
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccs2)n2ncc(C#N)c2N1
InChIInChI=1S/C19H15N5OS/c1-12-16(19(25)23-14-6-3-2-4-7-14)17(15-8-5-9-26-15)24-18(22-12)13(10-20)11-21-24/h2-9,11,17,22H,1H3,(H,23,25)
InChIKeySYGHDZGHBAQFOP-UHFFFAOYSA-N
XLogP3.74
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135653607) is 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)n2ncc(C#N)c2N1.
What is the InChIKey of 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SYGHDZGHBAQFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-12-16(19(25)23-14-6-3-2-4-7-14)17(15-8-5-9-26-15)24-18(22-12)13(10-20)11-21-24/h2-9,11,17,22H,1H3,(H,23,25).
What are the key properties of 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135653607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).