(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine

C14H17ClFN3 — CID 114646818

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1F
InChIInChI=1S/C14H17ClFN3/c1-8(2)19-14(11(15)7-18-19)13(17)10-5-4-9(3)12(16)6-10/h4-8,13H,17H2,1-3H3
InChIKeyVPVLPVCZTGINBN-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.61
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 114646818) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID114646818
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1F
InChIInChI=1S/C14H17ClFN3/c1-8(2)19-14(11(15)7-18-19)13(17)10-5-4-9(3)12(16)6-10/h4-8,13H,17H2,1-3H3
InChIKeyVPVLPVCZTGINBN-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041746
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(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-difluorophenyl)methanol
CID 114634816
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
(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

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine (CID 114646818) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1F.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is VPVLPVCZTGINBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-8(2)19-14(11(15)7-18-19)13(17)10-5-4-9(3)12(16)6-10/h4-8,13H,17H2,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 281.76 g/mol, XLogP of 3.61, 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)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 114646818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).