(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine

C13H15ClFN3 — CID 114646229

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1ccc(F)cc1
InChIInChI=1S/C13H15ClFN3/c1-8(2)18-13(11(14)7-17-18)12(16)9-3-5-10(15)6-4-9/h3-8,12H,16H2,1-2H3
InChIKeyUOHYRPQQLGAFOV-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.30
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine (PubChem CID 114646229) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
PubChem CID114646229
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1ccc(F)cc1
InChIInChI=1S/C13H15ClFN3/c1-8(2)18-13(11(14)7-17-18)12(16)9-3-5-10(15)6-4-9/h3-8,12H,16H2,1-2H3
InChIKeyUOHYRPQQLGAFOV-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 114646818
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105041901
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105041637
(3-bromo-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041750
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041746
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine
CID 114651326
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylsulfonylphenyl)methanamine
CID 105041737
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine (CID 114646229) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine is CC(C)n1ncc(Cl)c1C(N)c1ccc(F)cc1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine?
The InChIKey is UOHYRPQQLGAFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-8(2)18-13(11(14)7-17-18)12(16)9-3-5-10(15)6-4-9/h3-8,12H,16H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine has a molecular weight of 267.74 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 114646229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).