5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide

C22H19ClFN5O — CID 56583697

IUPAC5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C22H19ClFN5O/c1-14-20(21(23)29(27-14)19-9-5-17(24)6-10-19)22(30)26-18-7-3-16(4-8-18)13-28-12-11-25-15(28)2/h3-12H,13H2,1-2H3,(H,26,30)
InChIKeyDTLFRHHEDYGKKT-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.78
Rot. Bonds5

About 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 56583697) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide
PubChem CID56583697
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C22H19ClFN5O/c1-14-20(21(23)29(27-14)19-9-5-17(24)6-10-19)22(30)26-18-7-3-16(4-8-18)13-28-12-11-25-15(28)2/h3-12H,13H2,1-2H3,(H,26,30)
InChIKeyDTLFRHHEDYGKKT-UHFFFAOYSA-N
XLogP4.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]prop-2-enamide
CID 56583503
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
5-chloro-1-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 27699924
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
N-[4-(carbamoylamino)phenyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 33155398
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520
5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
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CID 86904048
5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 56784420
5-chloro-1-[(4-fluorophenyl)methyl]-N-(6-methoxy-3-pyridinyl)-3-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide (CID 56583697) is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(Cn2ccnc2C)cc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is DTLFRHHEDYGKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c1-14-20(21(23)29(27-14)19-9-5-17(24)6-10-19)22(30)26-18-7-3-16(4-8-18)13-28-12-11-25-15(28)2/h3-12H,13H2,1-2H3,(H,26,30).
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 423.88 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56583697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).