4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide

C16H15Cl2N5O — CID 35532568

IUPAC4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1nn(-c2ccc(NC(=O)c3nn(C)cc3Cl)cc2)c(C)c1Cl
InChIInChI=1S/C16H15Cl2N5O/c1-9-14(18)10(2)23(20-9)12-6-4-11(5-7-12)19-16(24)15-13(17)8-22(3)21-15/h4-8H,1-3H3,(H,19,24)
InChIKeyMBCSVWJQUZTSEL-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide

4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 35532568) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID35532568
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC Name4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1nn(-c2ccc(NC(=O)c3nn(C)cc3Cl)cc2)c(C)c1Cl
InChIInChI=1S/C16H15Cl2N5O/c1-9-14(18)10(2)23(20-9)12-6-4-11(5-7-12)19-16(24)15-13(17)8-22(3)21-15/h4-8H,1-3H3,(H,19,24)
InChIKeyMBCSVWJQUZTSEL-UHFFFAOYSA-N
XLogP3.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
4-[(4-bromo-1-methylpyrazol-3-yl)methoxy]-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 156902294
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 35281504
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide
CID 35760755
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 32965127
4-chloro-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19577847
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263670

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide (CID 35532568) is 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide is Cc1nn(-c2ccc(NC(=O)c3nn(C)cc3Cl)cc2)c(C)c1Cl.
What is the InChIKey of 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MBCSVWJQUZTSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c1-9-14(18)10(2)23(20-9)12-6-4-11(5-7-12)19-16(24)15-13(17)8-22(3)21-15/h4-8H,1-3H3,(H,19,24).
What are the key properties of 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide?
4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 35532568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).