1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine

C15H12ClFN4 — CID 83203644

IUPAC1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine
SMILESNc1cn(Cc2ccccc2Cl)nc1-c1ccc(F)cn1
InChIInChI=1S/C15H12ClFN4/c16-12-4-2-1-3-10(12)8-21-9-13(18)15(20-21)14-6-5-11(17)7-19-14/h1-7,9H,8,18H2
InChIKeyNCJRGOJTHFEGKF-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.37
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine

1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine (PubChem CID 83203644) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine
PubChem CID83203644
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine
SMILESNc1cn(Cc2ccccc2Cl)nc1-c1ccc(F)cn1
InChIInChI=1S/C15H12ClFN4/c16-12-4-2-1-3-10(12)8-21-9-13(18)15(20-21)14-6-5-11(17)7-19-14/h1-7,9H,8,18H2
InChIKeyNCJRGOJTHFEGKF-UHFFFAOYSA-N
XLogP3.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine
CID 83203348
1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine
CID 83203351
3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-amine
CID 83216674
3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 83204238
1-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222665
3-(5-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazol-4-amine
CID 83216889
1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine
CID 83222254
1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine
CID 83203919
1-benzyl-3-pyridin-2-ylpyrazol-4-amine
CID 83216358
methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 19287185
1-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483578

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine (CID 83203644) is 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine is Nc1cn(Cc2ccccc2Cl)nc1-c1ccc(F)cn1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine?
The InChIKey is NCJRGOJTHFEGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c16-12-4-2-1-3-10(12)8-21-9-13(18)15(20-21)14-6-5-11(17)7-19-14/h1-7,9H,8,18H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine?
1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine has a molecular weight of 302.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 83203644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).