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

C17H17ClFN5O — CID 19533688

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C17H17ClFN5O/c1-11-15(18)8-21-24(11)12(2)17(25)22-14-7-20-23(10-14)9-13-5-3-4-6-16(13)19/h3-8,10,12H,9H2,1-2H3,(H,22,25)
InChIKeyJLYKVMYFGWGMNM-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.43
Rot. Bonds5

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

2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19533688) has the molecular formula C17H17ClFN5O and a molecular weight of 361.81 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID19533688
Molecular FormulaC17H17ClFN5O
Molecular Weight361.81 g/mol
Exact Mass361.11
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C17H17ClFN5O/c1-11-15(18)8-21-24(11)12(2)17(25)22-14-7-20-23(10-14)9-13-5-3-4-6-16(13)19/h3-8,10,12H,9H2,1-2H3,(H,22,25)
InChIKeyJLYKVMYFGWGMNM-UHFFFAOYSA-N
XLogP3.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533594
(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 92628096
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533752
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19533585
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 97436288
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19532125
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533739
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19538173
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534643

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide (CID 19533688) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide is Cc1c(Cl)cnn1C(C)C(=O)Nc1cnn(Cc2ccccc2F)c1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is JLYKVMYFGWGMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O/c1-11-15(18)8-21-24(11)12(2)17(25)22-14-7-20-23(10-14)9-13-5-3-4-6-16(13)19/h3-8,10,12H,9H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 361.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19533688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).