1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

C19H19ClN4O — CID 39562340

IUPAC1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2cccnc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-2-18-17(13-23-24(18)16-7-3-6-15(20)11-16)19(25)22-10-8-14-5-4-9-21-12-14/h3-7,9,11-13H,2,8,10H2,1H3,(H,22,25)
InChIKeyZQGRXLMPYSXPJE-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.46
Rot. Bonds6

About 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 39562340) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID39562340
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2cccnc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-2-18-17(13-23-24(18)16-7-3-6-15(20)11-16)19(25)22-10-8-14-5-4-9-21-12-14/h3-7,9,11-13H,2,8,10H2,1H3,(H,22,25)
InChIKeyZQGRXLMPYSXPJE-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 52655877
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide
CID 46589359
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
5-methyl-N-(2-pyridin-3-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30768894
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (CID 39562340) is 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCCc2cccnc2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is ZQGRXLMPYSXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-18-17(13-23-24(18)16-7-3-6-15(20)11-16)19(25)22-10-8-14-5-4-9-21-12-14/h3-7,9,11-13H,2,8,10H2,1H3,(H,22,25).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 39562340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).