N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

C22H18ClN3OS — CID 16563538

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClN3OS/c1-15-6-8-16(9-7-15)18-11-13-28-21(18)22(27)25-20-10-12-24-26(20)14-17-4-2-3-5-19(17)23/h2-13H,14H2,1H3,(H,25,27)
InChIKeyFCTCHTKUKCFMCO-UHFFFAOYSA-N
MW407.93 g/mol
LogP5.87
Rot. Bonds5

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 16563538) has the molecular formula C22H18ClN3OS and a molecular weight of 407.93 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID16563538
Molecular FormulaC22H18ClN3OS
Molecular Weight407.93 g/mol
Exact Mass407.09
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClN3OS/c1-15-6-8-16(9-7-15)18-11-13-28-21(18)22(27)25-20-10-12-24-26(20)14-17-4-2-3-5-19(17)23/h2-13H,14H2,1H3,(H,25,27)
InChIKeyFCTCHTKUKCFMCO-UHFFFAOYSA-N
XLogP5.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.93
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 56802974
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 8006135
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
CID 52759135
1-chloro-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]isoquinoline-3-carboxamide
CID 31911520
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methylphenyl)sulfanylacetamide
CID 52772463
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
CID 30397973

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 16563538) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is FCTCHTKUKCFMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3OS/c1-15-6-8-16(9-7-15)18-11-13-28-21(18)22(27)25-20-10-12-24-26(20)14-17-4-2-3-5-19(17)23/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 407.93 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 16563538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).