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

C15H20ClN3 — CID 114646624

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1
InChIInChI=1S/C15H20ClN3/c1-4-11-5-7-12(8-6-11)14(17)15-13(16)9-18-19(15)10(2)3/h5-10,14H,4,17H2,1-3H3
InChIKeyVULIGIOGBLXTKB-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.73
Rot. Bonds4

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

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine (PubChem CID 114646624) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
PubChem CID114646624
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1
InChIInChI=1S/C15H20ClN3/c1-4-11-5-7-12(8-6-11)14(17)15-13(16)9-18-19(15)10(2)3/h5-10,14H,4,17H2,1-3H3
InChIKeyVULIGIOGBLXTKB-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
CID 114646633
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105041637
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105041901
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 114646818
(3-bromo-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041750
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
CID 114655949
(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)-(2,5-dichlorophenyl)methanamine
CID 105041781
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine
CID 114651326
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105041777

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine (CID 114646624) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine is CCc1ccc(C(N)c2c(Cl)cnn2C(C)C)cc1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine?
The InChIKey is VULIGIOGBLXTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-11-5-7-12(8-6-11)14(17)15-13(16)9-18-19(15)10(2)3/h5-10,14H,4,17H2,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine has a molecular weight of 277.80 g/mol, XLogP of 3.73, 4 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-ethylphenyl)methanamine is sourced from PubChem (CID 114646624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).