1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride

C10H10Cl2FN3 — CID 17349598

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C10H9ClFN3.ClH/c11-9-2-1-3-10(12)8(9)6-15-5-7(13)4-14-15;/h1-5H,6,13H2;1H
InChIKeyHFHBGDMHFGQLBO-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.73
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride

1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 17349598) has the molecular formula C10H10Cl2FN3 and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID17349598
Molecular FormulaC10H10Cl2FN3
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C10H9ClFN3.ClH/c11-9-2-1-3-10(12)8(9)6-15-5-7(13)4-14-15;/h1-5H,6,13H2;1H
InChIKeyHFHBGDMHFGQLBO-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206812
1-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 82790118
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19410382
1-butyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343891
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 39853189
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
CID 61285579
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19410339

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride (CID 17349598) is 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is HFHBGDMHFGQLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3.ClH/c11-9-2-1-3-10(12)8(9)6-15-5-7(13)4-14-15;/h1-5H,6,13H2;1H.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 262.12 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 17349598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).