(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine

C14H17ClFN3 — CID 81347811

IUPAC(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCc1nn(C)c(CN[C@H](C)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H17ClFN3/c1-9(11-4-6-12(16)7-5-11)17-8-13-14(15)10(2)18-19(13)3/h4-7,9,17H,8H2,1-3H3/t9-/m1/s1
InChIKeyRJRDJBKZWLZYHT-SECBINFHSA-N
MW281.76 g/mol
LogP3.37
Rot. Bonds4

About (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81347811) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81347811
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCc1nn(C)c(CN[C@H](C)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H17ClFN3/c1-9(11-4-6-12(16)7-5-11)17-8-13-14(15)10(2)18-19(13)3/h4-7,9,17H,8H2,1-3H3/t9-/m1/s1
InChIKeyRJRDJBKZWLZYHT-SECBINFHSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81352561
(1S)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81378218
(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408386
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(4-fluorophenyl)propan-1-amine
CID 79442250
(1S)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
CID 81359014
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432834
(1S)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365053
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242004
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,1-dimethylhydrazine
CID 83014675

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine (CID 81347811) is (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine is Cc1nn(C)c(CN[C@H](C)c2ccc(F)cc2)c1Cl.
What is the InChIKey of (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is RJRDJBKZWLZYHT-SECBINFHSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-9(11-4-6-12(16)7-5-11)17-8-13-14(15)10(2)18-19(13)3/h4-7,9,17H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81347811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).