N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C13H15N3OS — CID 39117057

IUPACN-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CC3)n[nH]2)s1
InChIInChI=1S/C13H15N3OS/c1-8-2-5-12(18-8)10-6-11(16-15-10)13(17)14-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyAUXQYDXOBKSHSW-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds4

About N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 39117057) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID39117057
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CC3)n[nH]2)s1
InChIInChI=1S/C13H15N3OS/c1-8-2-5-12(18-8)10-6-11(16-15-10)13(17)14-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyAUXQYDXOBKSHSW-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 39117057) is N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC3CC3)n[nH]2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is AUXQYDXOBKSHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-2-5-12(18-8)10-6-11(16-15-10)13(17)14-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 39117057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).