4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide

C14H16ClN3O — CID 19290546

IUPAC4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1ncc(CNC(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H16ClN3O/c1-3-18-10(2)12(9-17-18)8-16-14(19)11-4-6-13(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,19)
InChIKeyBJBPICGTQFHCHJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.79
Rot. Bonds4

About 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide

4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 19290546) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
PubChem CID19290546
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1ncc(CNC(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H16ClN3O/c1-3-18-10(2)12(9-17-18)8-16-14(19)11-4-6-13(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,19)
InChIKeyBJBPICGTQFHCHJ-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290508
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290408
1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
CID 17378582
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290411
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19296860
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538445
5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290461
2-(4-chlorobenzoyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340402

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide (CID 19290546) is 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide is CCn1ncc(CNC(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is BJBPICGTQFHCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-18-10(2)12(9-17-18)8-16-14(19)11-4-6-13(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,19).
What are the key properties of 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 277.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19290546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).