1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine

C11H11F2N3 — CID 175351355

IUPAC1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C11H11F2N3/c1-14-10-5-15-16(7-10)6-8-2-3-9(12)4-11(8)13/h2-5,7,14H,6H2,1H3
InChIKeyKOXGNOMMLFQXHT-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.25
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine

1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine (PubChem CID 175351355) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
PubChem CID175351355
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C11H11F2N3/c1-14-10-5-15-16(7-10)6-8-2-3-9(12)4-11(8)13/h2-5,7,14H,6H2,1H3
InChIKeyKOXGNOMMLFQXHT-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175103248
N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine
CID 175103195
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 55110682
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
CID 43543559
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
1-[(2,4-difluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 55045761
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22207089
1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole
CID 75357814
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiourea
CID 19343967
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63753876
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22203015

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine (CID 175351355) is 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine is CNc1cnn(Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine?
The InChIKey is KOXGNOMMLFQXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-14-10-5-15-16(7-10)6-8-2-3-9(12)4-11(8)13/h2-5,7,14H,6H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine?
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine has a molecular weight of 223.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine is sourced from PubChem (CID 175351355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).