N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide

C14H17N3OS — CID 75399076

IUPACN-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(C)cc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H17N3OS/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15-13(12)19-3/h4-8,10H,9H2,1-3H3
InChIKeyYJWFODUGLDAVSG-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.41
Rot. Bonds4

About N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide

N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 75399076) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID75399076
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(C)cc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H17N3OS/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15-13(12)19-3/h4-8,10H,9H2,1-3H3
InChIKeyYJWFODUGLDAVSG-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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Related Compounds

N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 103893389
N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809971
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
CID 110851104
4-[[methyl-(2-methylsulfanylbenzoyl)amino]methyl]benzoic acid
CID 167984259
2-anilino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31848474

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide (CID 75399076) is N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide is CSc1nn(C)cc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is YJWFODUGLDAVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15-13(12)19-3/h4-8,10H,9H2,1-3H3.
What are the key properties of N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide?
N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-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-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 75399076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).