1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride

C11H12Cl2FN3 — CID 175103248

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
SMILESCNc1cnn(Cc2ccc(F)cc2Cl)c1.Cl
InChIInChI=1S/C11H11ClFN3.ClH/c1-14-10-5-15-16(7-10)6-8-2-3-9(13)4-11(8)12;/h2-5,7,14H,6H2,1H3;1H
InChIKeyNFESWXOAUFQOOQ-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.19
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride

1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride (PubChem CID 175103248) has the molecular formula C11H12Cl2FN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
PubChem CID175103248
Molecular FormulaC11H12Cl2FN3
Molecular Weight276.14 g/mol
Exact Mass275.04
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
SMILESCNc1cnn(Cc2ccc(F)cc2Cl)c1.Cl
InChIInChI=1S/C11H11ClFN3.ClH/c1-14-10-5-15-16(7-10)6-8-2-3-9(13)4-11(8)12;/h2-5,7,14H,6H2,1H3;1H
InChIKeyNFESWXOAUFQOOQ-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiourea
CID 19343967
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylbutanamide
CID 35592036
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-methoxyacetamide
CID 39853882
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22207089
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474621
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2,4-difluorophenyl)thiourea
CID 17300753
N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine
CID 175103195
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylbenzamide
CID 19412652

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride (CID 175103248) is 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride is CNc1cnn(Cc2ccc(F)cc2Cl)c1.Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride?
The InChIKey is NFESWXOAUFQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3.ClH/c1-14-10-5-15-16(7-10)6-8-2-3-9(13)4-11(8)12;/h2-5,7,14H,6H2,1H3;1H.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride?
1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride has a molecular weight of 276.14 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 175103248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).