N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide

C17H16Cl2FN5O — CID 19544172

IUPACN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FN5O/c1-11-13(18)9-24(22-11)7-6-16(26)21-17-14(19)10-25(23-17)8-12-4-2-3-5-15(12)20/h2-5,9-10H,6-8H2,1H3,(H,21,23,26)
InChIKeyKULOUUHQUCANMA-UHFFFAOYSA-N
MW396.25 g/mol
LogP3.91
Rot. Bonds6

About N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide (PubChem CID 19544172) has the molecular formula C17H16Cl2FN5O and a molecular weight of 396.25 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
PubChem CID19544172
Molecular FormulaC17H16Cl2FN5O
Molecular Weight396.25 g/mol
Exact Mass395.07
IUPAC NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FN5O/c1-11-13(18)9-24(22-11)7-6-16(26)21-17-14(19)10-25(23-17)8-12-4-2-3-5-15(12)20/h2-5,9-10H,6-8H2,1H3,(H,21,23,26)
InChIKeyKULOUUHQUCANMA-UHFFFAOYSA-N
XLogP3.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559486
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19551896
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19521057
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517020
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19409457
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565700
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
1-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
CID 39853155
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19344988
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569925
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzamide
CID 19409434

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide (CID 19544172) is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The InChIKey is KULOUUHQUCANMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN5O/c1-11-13(18)9-24(22-11)7-6-16(26)21-17-14(19)10-25(23-17)8-12-4-2-3-5-15(12)20/h2-5,9-10H,6-8H2,1H3,(H,21,23,26).
What are the key properties of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide has a molecular weight of 396.25 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19544172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).