4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline

C12H14ClN3 — CID 115866130

IUPAC4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
SMILESCCn1nccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-2-16-12(7-8-15-16)9-14-11-5-3-10(13)4-6-11/h3-8,14H,2,9H2,1H3
InChIKeyGMVQRKHGTIXHBP-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.17
Rot. Bonds4

About 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline (PubChem CID 115866130) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
PubChem CID115866130
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
SMILESCCn1nccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-2-16-12(7-8-15-16)9-14-11-5-3-10(13)4-6-11/h3-8,14H,2,9H2,1H3
InChIKeyGMVQRKHGTIXHBP-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline 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

N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 19619290
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
CID 114554977
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 115762749
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965183
2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol
CID 114555558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline (CID 115866130) is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline is CCn1nccc1CNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline?
The InChIKey is GMVQRKHGTIXHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-16-12(7-8-15-16)9-14-11-5-3-10(13)4-6-11/h3-8,14H,2,9H2,1H3.
What are the key properties of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline?
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline has a molecular weight of 235.72 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 115866130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).