1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide

C21H23ClN4O2 — CID 49488914

IUPAC1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2ccn(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C21H23ClN4O2/c1-25(2)13-14-28-17-9-7-16(8-10-17)15-23-21(27)19-11-12-26(24-19)20-6-4-3-5-18(20)22/h3-12H,13-15H2,1-2H3,(H,23,27)
InChIKeyJLTDUJYYWCJCFV-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.40
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide

1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 49488914) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide
PubChem CID49488914
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2ccn(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C21H23ClN4O2/c1-25(2)13-14-28-17-9-7-16(8-10-17)15-23-21(27)19-11-12-26(24-19)20-6-4-3-5-18(20)22/h3-12H,13-15H2,1-2H3,(H,23,27)
InChIKeyJLTDUJYYWCJCFV-UHFFFAOYSA-N
XLogP3.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48692037
N-[[4-(butanoylamino)phenyl]methyl]-1-(2-chlorophenyl)pyrazole-3-carboxamide
CID 49326504
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55859126
1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
CID 49376762
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 49324924
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 78901621

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide (CID 49488914) is 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide is CN(C)CCOc1ccc(CNC(=O)c2ccn(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is JLTDUJYYWCJCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-25(2)13-14-28-17-9-7-16(8-10-17)15-23-21(27)19-11-12-26(24-19)20-6-4-3-5-18(20)22/h3-12H,13-15H2,1-2H3,(H,23,27).
What are the key properties of 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 49488914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).