3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline

C15H16ClN5 — CID 83089931

IUPAC3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline
SMILESCc1nn(C)cc1CNc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H16ClN5/c1-11-12(9-20(2)19-11)8-18-14-5-3-4-13(16)15(14)21-7-6-17-10-21/h3-7,9-10,18H,8H2,1-2H3
InChIKeyCDFZRTYSSQIHSF-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.18
Rot. Bonds4

About 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline

3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline (PubChem CID 83089931) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline
PubChem CID83089931
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline
SMILESCc1nn(C)cc1CNc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H16ClN5/c1-11-12(9-20(2)19-11)8-18-14-5-3-4-13(16)15(14)21-7-6-17-10-21/h3-7,9-10,18H,8H2,1-2H3
InChIKeyCDFZRTYSSQIHSF-UHFFFAOYSA-N
XLogP3.18
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline 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

2-chloro-6-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112669738
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylaniline
CID 113351725
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylaniline
CID 83089565
5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol
CID 83089796
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline
CID 43673667
N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441412
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
3-chloro-N-heptan-4-yl-2-imidazol-1-ylaniline
CID 43673648
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 82995174
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
3-chloro-4-[(1,3-dimethylpyrazol-4-yl)methylamino]benzenecarbothioamide
CID 112669866
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 114050786

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline?
The IUPAC name of 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline (CID 83089931) is 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline is Cc1nn(C)cc1CNc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline?
The InChIKey is CDFZRTYSSQIHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-11-12(9-20(2)19-11)8-18-14-5-3-4-13(16)15(14)21-7-6-17-10-21/h3-7,9-10,18H,8H2,1-2H3.
What are the key properties of 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline?
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline has a molecular weight of 301.78 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline is sourced from PubChem (CID 83089931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).