4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C15H12Cl2FN5O — CID 19475845

IUPAC4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H12Cl2FN5O/c1-22-14(11(17)7-19-22)15(24)20-13-5-6-23(21-13)8-9-10(16)3-2-4-12(9)18/h2-7H,8H2,1H3,(H,20,21,24)
InChIKeyJTPYODALWZUJMU-UHFFFAOYSA-N
MW368.20 g/mol
LogP3.36
Rot. Bonds4

About 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 19475845) has the molecular formula C15H12Cl2FN5O and a molecular weight of 368.20 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID19475845
Molecular FormulaC15H12Cl2FN5O
Molecular Weight368.20 g/mol
Exact Mass367.04
IUPAC Name4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C15H12Cl2FN5O/c1-22-14(11(17)7-19-22)15(24)20-13-5-6-23(21-13)8-9-10(16)3-2-4-12(9)18/h2-7H,8H2,1H3,(H,20,21,24)
InChIKeyJTPYODALWZUJMU-UHFFFAOYSA-N
XLogP3.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19285747
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559627
2-[5-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482421
1,3-bis[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395194
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19285590
2-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanylbenzamide
CID 19285625
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401629
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 1246315
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19285749
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19327019
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19285609

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 19475845) is 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is JTPYODALWZUJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN5O/c1-22-14(11(17)7-19-22)15(24)20-13-5-6-23(21-13)8-9-10(16)3-2-4-12(9)18/h2-7H,8H2,1H3,(H,20,21,24).
What are the key properties of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 368.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).