2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide

C18H19ClFN5O — CID 19538527

IUPAC2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)C(C)n1cc(Cl)cn1
InChIInChI=1S/C18H19ClFN5O/c1-11-17(22-18(26)13(3)24-10-15(19)8-21-24)12(2)25(23-11)9-14-6-4-5-7-16(14)20/h4-8,10,13H,9H2,1-3H3,(H,22,26)
InChIKeyDAZVGQNXEWTGLX-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide

2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 19538527) has the molecular formula C18H19ClFN5O and a molecular weight of 375.84 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID19538527
Molecular FormulaC18H19ClFN5O
Molecular Weight375.84 g/mol
Exact Mass375.13
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)C(C)n1cc(Cl)cn1
InChIInChI=1S/C18H19ClFN5O/c1-11-17(22-18(26)13(3)24-10-15(19)8-21-24)12(2)25(23-11)9-14-6-4-5-7-16(14)20/h4-8,10,13H,9H2,1-3H3,(H,22,26)
InChIKeyDAZVGQNXEWTGLX-UHFFFAOYSA-N
XLogP3.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19537655
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789
1-[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505087
1-(4-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381589
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19402139
1-(3-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381546
2-(4-bromopyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19405897
2-[4-[[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504685
2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19411981
(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938375
(2R)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938376
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
CID 19408274

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide (CID 19538527) is 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide is Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)C(C)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is DAZVGQNXEWTGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5O/c1-11-17(22-18(26)13(3)24-10-15(19)8-21-24)12(2)25(23-11)9-14-6-4-5-7-16(14)20/h4-8,10,13H,9H2,1-3H3,(H,22,26).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 375.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 19538527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).