N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide

C15H18ClN3O — CID 19450031

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)c2cccc(C)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-19-9-13(16)14(17-19)10-18(3)15(20)12-7-5-6-11(2)8-12/h5-9H,4,10H2,1-3H3
InChIKeyHDJVHUPKQOZVRH-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.14
Rot. Bonds4

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide (PubChem CID 19450031) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
PubChem CID19450031
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)c2cccc(C)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-19-9-13(16)14(17-19)10-18(3)15(20)12-7-5-6-11(2)8-12/h5-9H,4,10H2,1-3H3
InChIKeyHDJVHUPKQOZVRH-UHFFFAOYSA-N
XLogP3.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19450079
3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19451986
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19450044
4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278138
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 19477826
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 19558355
3-butyl-1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methylurea
CID 19456266
4-bromo-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 19507618
1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 19456269
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450062
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19536035
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide
CID 19331292

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide (CID 19450031) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide is CCn1cc(Cl)c(CN(C)C(=O)c2cccc(C)c2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide?
The InChIKey is HDJVHUPKQOZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-19-9-13(16)14(17-19)10-18(3)15(20)12-7-5-6-11(2)8-12/h5-9H,4,10H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide has a molecular weight of 291.78 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 19450031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).