2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide

C16H13Cl2N3OS — CID 16575328

IUPAC2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H13Cl2N3OS/c1-9-14(19-16(22)12-8-13(17)23-15(12)18)10(2)21(20-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,22)
InChIKeyZMWPTFALUTYMRT-UHFFFAOYSA-N
MW366.27 g/mol
LogP5.11
Rot. Bonds3

About 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide

2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 16575328) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID16575328
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC Name2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H13Cl2N3OS/c1-9-14(19-16(22)12-8-13(17)23-15(12)18)10(2)21(20-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,22)
InChIKeyZMWPTFALUTYMRT-UHFFFAOYSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.27
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
5-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-nitrobenzamide
CID 16960970
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 16575237
1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 71943860
2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
CID 21369217
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51111232
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide (CID 16575328) is 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is ZMWPTFALUTYMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c1-9-14(19-16(22)12-8-13(17)23-15(12)18)10(2)21(20-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,22).
What are the key properties of 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 366.27 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 16575328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).