N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide

C14H17N3OS — CID 39969648

IUPACN,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C14H17N3OS/c1-16(14(18)12-8-15-17(2)10-12)9-11-4-6-13(19-3)7-5-11/h4-8,10H,9H2,1-3H3
InChIKeyGAOUZZPOPCZYKF-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.41
Rot. Bonds4

About N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide

N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 39969648) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID39969648
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C14H17N3OS/c1-16(14(18)12-8-15-17(2)10-12)9-11-4-6-13(19-3)7-5-11/h4-8,10H,9H2,1-3H3
InChIKeyGAOUZZPOPCZYKF-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide (CID 39969648) is N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide is CSc1ccc(CN(C)C(=O)c2cnn(C)c2)cc1.
What is the InChIKey of N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is GAOUZZPOPCZYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-16(14(18)12-8-15-17(2)10-12)9-11-4-6-13(19-3)7-5-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39969648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).