3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide

C14H16Cl2N4O — CID 49088730

IUPAC3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
SMILESCN(C)CCn1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H16Cl2N4O/c1-19(2)5-6-20-9-11(8-17-20)18-14(21)10-3-4-12(15)13(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)
InChIKeyFMILOGDFSTYLCA-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.00
Rot. Bonds5

About 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide

3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide (PubChem CID 49088730) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
PubChem CID49088730
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
SMILESCN(C)CCn1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H16Cl2N4O/c1-19(2)5-6-20-9-11(8-17-20)18-14(21)10-3-4-12(15)13(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)
InChIKeyFMILOGDFSTYLCA-UHFFFAOYSA-N
XLogP3.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
4-[4-[(3,4-dichlorobenzoyl)amino]pyrazol-1-yl]butanoic acid
CID 4919605
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide
CID 43429927
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
CID 95744341
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]butanediamide
CID 95744217
6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167754395
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
CID 103734986

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide (CID 49088730) is 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide is CN(C)CCn1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide?
The InChIKey is FMILOGDFSTYLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-19(2)5-6-20-9-11(8-17-20)18-14(21)10-3-4-12(15)13(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,21).
What are the key properties of 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide?
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 49088730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).