3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide

C22H25N3O2 — CID 18205735

IUPAC3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
SMILESCCCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C22H25N3O2/c1-3-4-8-15-23-22(26)20-16-25(18-9-6-5-7-10-18)24-21(20)17-11-13-19(27-2)14-12-17/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,23,26)
InChIKeyAVKHFYHWYTXEGC-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.47
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide

3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide (PubChem CID 18205735) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
PubChem CID18205735
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
SMILESCCCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C22H25N3O2/c1-3-4-8-15-23-22(26)20-16-25(18-9-6-5-7-10-18)24-21(20)17-11-13-19(27-2)14-12-17/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,23,26)
InChIKeyAVKHFYHWYTXEGC-UHFFFAOYSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
3-(4-methoxyphenyl)-1-phenyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 55647189
N-[3-(benzimidazol-1-yl)propyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55408128
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 18109631
3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
CID 154750619
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78867776

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide (CID 18205735) is 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide is CCCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is AVKHFYHWYTXEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-4-8-15-23-22(26)20-16-25(18-9-6-5-7-10-18)24-21(20)17-11-13-19(27-2)14-12-17/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide?
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18205735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).