1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide

C22H20ClN5O — CID 46400590

IUPAC1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(Cn3cccn3)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H20ClN5O/c1-2-21-20(14-25-28(21)19-9-4-7-17(23)13-19)22(29)26-18-8-3-6-16(12-18)15-27-11-5-10-24-27/h3-14H,2,15H2,1H3,(H,26,29)
InChIKeyJMBIVHAMGPXJGF-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.59
Rot. Bonds6

About 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 46400590) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
PubChem CID46400590
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(Cn3cccn3)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H20ClN5O/c1-2-21-20(14-25-28(21)19-9-4-7-17(23)13-19)22(29)26-18-8-3-6-16(12-18)15-27-11-5-10-24-27/h3-14H,2,15H2,1H3,(H,26,29)
InChIKeyJMBIVHAMGPXJGF-UHFFFAOYSA-N
XLogP4.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 52655877
1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
CID 55864191
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340
1-(3-chlorophenyl)-5-ethyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55814229
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32953030
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide (CID 46400590) is 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(Cn3cccn3)c2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is JMBIVHAMGPXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-2-21-20(14-25-28(21)19-9-4-7-17(23)13-19)22(29)26-18-8-3-6-16(12-18)15-27-11-5-10-24-27/h3-14H,2,15H2,1H3,(H,26,29).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46400590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).