1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide

C24H21ClN4O2 — CID 52655877

IUPAC1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(OCc3cccnc3)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C24H21ClN4O2/c1-2-23-22(15-27-29(23)20-9-3-7-18(25)12-20)24(30)28-19-8-4-10-21(13-19)31-16-17-6-5-11-26-14-17/h3-15H,2,16H2,1H3,(H,28,30)
InChIKeyVPUGKCVEXIBCRX-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.31
Rot. Bonds7

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

1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 52655877) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID52655877
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(OCc3cccnc3)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C24H21ClN4O2/c1-2-23-22(15-27-29(23)20-9-3-7-18(25)12-20)24(30)28-19-8-4-10-21(13-19)31-16-17-6-5-11-26-14-17/h3-15H,2,16H2,1H3,(H,28,30)
InChIKeyVPUGKCVEXIBCRX-UHFFFAOYSA-N
XLogP5.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
CID 55864191
1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 55804567
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46427978
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide (CID 52655877) is 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(OCc3cccnc3)c2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is VPUGKCVEXIBCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-2-23-22(15-27-29(23)20-9-3-7-18(25)12-20)24(30)28-19-8-4-10-21(13-19)31-16-17-6-5-11-26-14-17/h3-15H,2,16H2,1H3,(H,28,30).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 5.31, 7 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-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 52655877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).