1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C13H15ClFN3 — CID 103010352

IUPAC1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)c1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3/c1-18-9(7-8-17-18)5-6-12(16)10-3-2-4-11(14)13(10)15/h2-4,7-8,12H,5-6,16H2,1H3
InChIKeyCALMZVYCTDCIGQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103010352) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103010352
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)c1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3/c1-18-9(7-8-17-18)5-6-12(16)10-3-2-4-11(14)13(10)15/h2-4,7-8,12H,5-6,16H2,1H3
InChIKeyCALMZVYCTDCIGQ-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030726
3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009601
[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026695
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030616
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030513
1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030747
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103010352) is 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cn1nccc1CCC(N)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is CALMZVYCTDCIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-18-9(7-8-17-18)5-6-12(16)10-3-2-4-11(14)13(10)15/h2-4,7-8,12H,5-6,16H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 267.74 g/mol, XLogP of 2.85, 4 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)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103010352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).