[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine

C11H11ClFN3 — CID 102861719

IUPAC[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine
SMILESNCc1ccn(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C11H11ClFN3/c12-10-3-1-2-8(11(10)13)7-16-5-4-9(6-14)15-16/h1-5H,6-7,14H2
InChIKeyDNFJAQWEHAPLKT-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.18
Rot. Bonds3

About [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine

[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine (PubChem CID 102861719) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine
PubChem CID102861719
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine
SMILESNCc1ccn(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C11H11ClFN3/c12-10-3-1-2-8(11(10)13)7-16-5-4-9(6-14)15-16/h1-5H,6-7,14H2
InChIKeyDNFJAQWEHAPLKT-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole
CID 167943979
[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113900
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
1-[(2,3-difluorophenyl)methyl]pyrazol-3-amine
CID 60783235
1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
CID 66752411
N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107310253
5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102858179
1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
CID 159485481
1-[(3-chloro-2-fluorophenyl)methyl]-3-nitropyrazole-4-sulfonamide
CID 102864681
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine?
The IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine (CID 102861719) is [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine?
The canonical SMILES for [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine is NCc1ccn(Cc2cccc(Cl)c2F)n1.
What is the InChIKey of [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine?
The InChIKey is DNFJAQWEHAPLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c12-10-3-1-2-8(11(10)13)7-16-5-4-9(6-14)15-16/h1-5H,6-7,14H2.
What are the key properties of [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine?
[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine has a molecular weight of 239.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine is sourced from PubChem (CID 102861719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).