N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

C17H17ClFN5O — CID 19569956

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C17H17ClFN5O/c1-12-4-7-20-24(12)9-6-17(25)21-16-5-8-23(22-16)11-13-2-3-14(19)10-15(13)18/h2-5,7-8,10H,6,9,11H2,1H3,(H,21,22,25)
InChIKeyVAHWIDLAOKWOTK-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.26
Rot. Bonds6

About N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19569956) has the molecular formula C17H17ClFN5O and a molecular weight of 361.81 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID19569956
Molecular FormulaC17H17ClFN5O
Molecular Weight361.81 g/mol
Exact Mass361.11
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C17H17ClFN5O/c1-12-4-7-20-24(12)9-6-17(25)21-16-5-8-23(22-16)11-13-2-3-14(19)10-15(13)18/h2-5,7-8,10H,6,9,11H2,1H3,(H,21,22,25)
InChIKeyVAHWIDLAOKWOTK-UHFFFAOYSA-N
XLogP3.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526561
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 4773476
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19345388
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569942
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-ethylbutanamide
CID 19402868
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476178
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472169
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557572
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520101
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507480

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (CID 19569956) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is VAHWIDLAOKWOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O/c1-12-4-7-20-24(12)9-6-17(25)21-16-5-8-23(22-16)11-13-2-3-14(19)10-15(13)18/h2-5,7-8,10H,6,9,11H2,1H3,(H,21,22,25).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 361.81 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19569956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).