N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide

C17H23N3OS — CID 131919121

IUPACN-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(Cc2ccsc2)C2CC2)n(C)n1
InChIInChI=1S/C17H23N3OS/c1-12(2)8-14-9-16(19(3)18-14)17(21)20(15-4-5-15)10-13-6-7-22-11-13/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3
InChIKeyPCXYILZVWKPGPO-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.48
Rot. Bonds6

About N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide

N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 131919121) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID131919121
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(Cc2ccsc2)C2CC2)n(C)n1
InChIInChI=1S/C17H23N3OS/c1-12(2)8-14-9-16(19(3)18-14)17(21)20(15-4-5-15)10-13-6-7-22-11-13/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3
InChIKeyPCXYILZVWKPGPO-UHFFFAOYSA-N
XLogP3.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide (CID 131919121) is N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)N(Cc2ccsc2)C2CC2)n(C)n1.
What is the InChIKey of N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is PCXYILZVWKPGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(2)8-14-9-16(19(3)18-14)17(21)20(15-4-5-15)10-13-6-7-22-11-13/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3.
What are the key properties of N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide?
N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 131919121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).