N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide

C15H17N3OS — CID 50955104

IUPACN-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCSc1ccc(CN(C(=O)c2ccn[nH]2)C2CC2)cc1
InChIInChI=1S/C15H17N3OS/c1-20-13-6-2-11(3-7-13)10-18(12-4-5-12)15(19)14-8-9-16-17-14/h2-3,6-9,12H,4-5,10H2,1H3,(H,16,17)
InChIKeyQCVNSURNGCFKHZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.94
Rot. Bonds5

About N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide

N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 50955104) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID50955104
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCSc1ccc(CN(C(=O)c2ccn[nH]2)C2CC2)cc1
InChIInChI=1S/C15H17N3OS/c1-20-13-6-2-11(3-7-13)10-18(12-4-5-12)15(19)14-8-9-16-17-14/h2-3,6-9,12H,4-5,10H2,1H3,(H,16,17)
InChIKeyQCVNSURNGCFKHZ-UHFFFAOYSA-N
XLogP2.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 50955104) is N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide is CSc1ccc(CN(C(=O)c2ccn[nH]2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QCVNSURNGCFKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-20-13-6-2-11(3-7-13)10-18(12-4-5-12)15(19)14-8-9-16-17-14/h2-3,6-9,12H,4-5,10H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide?
N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50955104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).