[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine

C12H13ClFN3 — CID 107113900

IUPAC[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESCc1nn(Cc2cccc(CN)c2F)cc1Cl
InChIInChI=1S/C12H13ClFN3/c1-8-11(13)7-17(16-8)6-10-4-2-3-9(5-15)12(10)14/h2-4,7H,5-6,15H2,1H3
InChIKeyAHAZKKNKNQKLJT-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.49
Rot. Bonds3

About [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine

[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107113900) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107113900
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESCc1nn(Cc2cccc(CN)c2F)cc1Cl
InChIInChI=1S/C12H13ClFN3/c1-8-11(13)7-17(16-8)6-10-4-2-3-9(5-15)12(10)14/h2-4,7H,5-6,15H2,1H3
InChIKeyAHAZKKNKNQKLJT-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
CID 64766127
6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine
CID 79232417
4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
CID 97182111
methyl 2-amino-6-[(4-chloro-3-methylpyrazol-1-yl)methyl]benzoate
CID 104825017
[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine
CID 102861719
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19544172
N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 115464407
2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251981
[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485433
N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107456603

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine (CID 107113900) is [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine is Cc1nn(Cc2cccc(CN)c2F)cc1Cl.
What is the InChIKey of [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is AHAZKKNKNQKLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-8-11(13)7-17(16-8)6-10-4-2-3-9(5-15)12(10)14/h2-4,7H,5-6,15H2,1H3.
What are the key properties of [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine?
[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 253.71 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107113900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).