1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide

C18H18ClN3OS — CID 51272609

IUPAC1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H18ClN3OS/c1-13-7-8-24-17(13)12-21(2)18(23)15-9-20-22(11-15)10-14-5-3-4-6-16(14)19/h3-9,11H,10,12H2,1-2H3
InChIKeyQQKOABKUZGLMRR-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.23
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 51272609) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID51272609
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H18ClN3OS/c1-13-7-8-24-17(13)12-21(2)18(23)15-9-20-22(11-15)10-14-5-3-4-6-16(14)19/h3-9,11H,10,12H2,1-2H3
InChIKeyQQKOABKUZGLMRR-UHFFFAOYSA-N
XLogP4.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide
CID 38077636
N-[(2-chloro-5-nitrophenyl)methyl]-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 134016077
N-(3-amino-2,2-dimethylpropyl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119656188
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrazole-4-carboxamide
CID 34391952
N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119584478
1-[(2-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 34380199
1-[(2-chlorophenyl)methyl]-N-ethyl-N-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 18132117
1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 18117356
2,5-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114917417
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide (CID 51272609) is 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide is Cc1ccsc1CN(C)C(=O)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is QQKOABKUZGLMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-13-7-8-24-17(13)12-21(2)18(23)15-9-20-22(11-15)10-14-5-3-4-6-16(14)19/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51272609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).