2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine

C17H20ClN5 — CID 71859798

IUPAC2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCCn1cc(CNCC(c2ccc(Cl)cc2)n2cccn2)cn1
InChIInChI=1S/C17H20ClN5/c1-2-22-13-14(11-21-22)10-19-12-17(23-9-3-8-20-23)15-4-6-16(18)7-5-15/h3-9,11,13,17,19H,2,10,12H2,1H3
InChIKeyCXZKXAUQWISDBA-UHFFFAOYSA-N
MW329.84 g/mol
LogP3.13
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine

2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 71859798) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID71859798
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC Name2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCCn1cc(CNCC(c2ccc(Cl)cc2)n2cccn2)cn1
InChIInChI=1S/C17H20ClN5/c1-2-22-13-14(11-21-22)10-19-12-17(23-9-3-8-20-23)15-4-6-16(18)7-5-15/h3-9,11,13,17,19H,2,10,12H2,1H3
InChIKeyCXZKXAUQWISDBA-UHFFFAOYSA-N
XLogP3.13
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine 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

1-ethyl-4-(1-pyrazol-1-ylpropyl)pyrazole
CID 141401670
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 79437814
1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine
CID 146129047
N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 103818614
3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731572
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115655686
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 166236553
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
CID 79440235
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine (CID 71859798) is 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine is CCn1cc(CNCC(c2ccc(Cl)cc2)n2cccn2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is CXZKXAUQWISDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5/c1-2-22-13-14(11-21-22)10-19-12-17(23-9-3-8-20-23)15-4-6-16(18)7-5-15/h3-9,11,13,17,19H,2,10,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine?
2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 329.84 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 71859798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).