N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C16H15N3OS — CID 944105

IUPACN-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC3CC3)cc12
InChIInChI=1S/C16H15N3OS/c1-10-13-9-14(15(20)17-11-7-8-11)21-16(13)19(18-10)12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,17,20)
InChIKeyRVIPGMCDIBEWAQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.29
Rot. Bonds3

About N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 944105) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID944105
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC3CC3)cc12
InChIInChI=1S/C16H15N3OS/c1-10-13-9-14(15(20)17-11-7-8-11)21-16(13)19(18-10)12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,17,20)
InChIKeyRVIPGMCDIBEWAQ-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 944105) is N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CC3)cc12.
What is the InChIKey of N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is RVIPGMCDIBEWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-13-9-14(15(20)17-11-7-8-11)21-16(13)19(18-10)12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 944105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).