4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide

C15H19ClN4O — CID 114555357

IUPAC4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
SMILESCCn1nccc1CNc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C15H19ClN4O/c1-4-20-12(7-8-18-20)10-17-14-9-11(16)5-6-13(14)15(21)19(2)3/h5-9,17H,4,10H2,1-3H3
InChIKeyYVNBVQQYTKAJBE-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.87
Rot. Bonds5

About 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide

4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 114555357) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID114555357
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
SMILESCCn1nccc1CNc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C15H19ClN4O/c1-4-20-12(7-8-18-20)10-17-14-9-11(16)5-6-13(14)15(21)19(2)3/h5-9,17H,4,10H2,1-3H3
InChIKeyYVNBVQQYTKAJBE-UHFFFAOYSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide 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-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 154782107
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide (CID 114555357) is 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide is CCn1nccc1CNc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is YVNBVQQYTKAJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-20-12(7-8-18-20)10-17-14-9-11(16)5-6-13(14)15(21)19(2)3/h5-9,17H,4,10H2,1-3H3.
What are the key properties of 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide?
4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 306.80 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 114555357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).