1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine

C10H9ClFN3 — CID 75357825

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C10H9ClFN3/c11-9-2-1-7(3-10(9)12)5-15-6-8(13)4-14-15/h1-4,6H,5,13H2
InChIKeyAXVVPKFPGSPZGW-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.31
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine

1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine (PubChem CID 75357825) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
PubChem CID75357825
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C10H9ClFN3/c11-9-2-1-7(3-10(9)12)5-15-6-8(13)4-14-15/h1-4,6H,5,13H2
InChIKeyAXVVPKFPGSPZGW-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-3-methylphenyl)methyl]pyrazol-4-amine
CID 152953618
1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 107889713
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 107886857
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 82285149
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 17349598
1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine
CID 107880816
1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine
CID 165479511
[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 82929588
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine (CID 75357825) is 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine is Nc1cnn(Cc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine?
The InChIKey is AXVVPKFPGSPZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c11-9-2-1-7(3-10(9)12)5-15-6-8(13)4-14-15/h1-4,6H,5,13H2.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine?
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine has a molecular weight of 225.65 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 75357825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).