N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide

C20H17ClFN5O — CID 25106835

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(C#N)cn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H17ClFN5O/c1-12-17(8-20(28)25-11-15-4-5-16(22)7-18(15)21)13(2)27(26-12)19-6-3-14(9-23)10-24-19/h3-7,10H,8,11H2,1-2H3,(H,25,28)
InChIKeyIBSAYGVPSSLDKN-UHFFFAOYSA-N
MW397.84 g/mol
LogP3.41
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 25106835) has the molecular formula C20H17ClFN5O and a molecular weight of 397.84 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID25106835
Molecular FormulaC20H17ClFN5O
Molecular Weight397.84 g/mol
Exact Mass397.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(C#N)cn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H17ClFN5O/c1-12-17(8-20(28)25-11-15-4-5-16(22)7-18(15)21)13(2)27(26-12)19-6-3-14(9-23)10-24-19/h3-7,10H,8,11H2,1-2H3,(H,25,28)
InChIKeyIBSAYGVPSSLDKN-UHFFFAOYSA-N
XLogP3.41
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide with MolForge

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Related Compounds

(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
(3-Chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10621510
(3-Chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10622421
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide
CID 25107017
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(3-pyridinylmethyl)-1H-pyrazol-4-yl]acetamide
CID 46887252
2-[1-(3-chloro-4-cyanophenyl)pyrazol-3-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 168277679
1-[4-[(2-Chlorophenyl)methylamino]-1-(cyanomethyl)cyclohexyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89473484
1-[1-[(2-Chlorophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 90331535
trans-(1R,2R)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344459
trans-(1S,2S)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344832
5-(4-Chlorophenyl)-4-methyl-1-(pyridin-2-yl)-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide (12j)
CID 129010780

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 25106835) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccc(C#N)cn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is IBSAYGVPSSLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O/c1-12-17(8-20(28)25-11-15-4-5-16(22)7-18(15)21)13(2)27(26-12)19-6-3-14(9-23)10-24-19/h3-7,10H,8,11H2,1-2H3,(H,25,28).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 397.84 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-cyano-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 25106835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).