5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide

C19H20ClN3O2 — CID 3047055

IUPAC5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-13(2)25-17-9-7-16(8-10-17)21-19(24)23-12-11-18(22-23)14-3-5-15(20)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyWUOLJLFSBZHTOM-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.77
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 3047055) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID3047055
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-13(2)25-17-9-7-16(8-10-17)21-19(24)23-12-11-18(22-23)14-3-5-15(20)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyWUOLJLFSBZHTOM-UHFFFAOYSA-N
XLogP4.77
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-Chloro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10927348
1-[1-(4-Chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenoxyphenyl)urea
CID 11640431
1-[(4-Chlorophenyl)methyl]-3-propan-2-yl-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 58578665
1-(4-Chlorobenzyl)-3-(4-methoxyphenyl)urea
CID 895210
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)urea
CID 5911850
2-[4-[(4-Chlorophenyl)methoxy]-2-fluorophenyl]-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 15333071
3-(4-chlorophenyl)-N-cyclohexyl-4-(4-methoxyphenyl)-5-oxo-1,2,4-triazole-1-carboxamide
CID 76325256
1-[(4-Chlorophenyl)methyl]-3-ethyl-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 162669490
1-[1-(4-Chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea
CID 11532525
1-[(4-Chlorophenyl)methyl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 68020517
1-[(4-Chlorophenyl)methyl]-3-propan-2-yl-6-(4-propan-2-yloxyanilino)-1,3,5-triazinane-2,4-dione
CID 76821207
Propiophenone, 3-(diethylamino)-, 4-(p-methoxyphenyl)semicarbazone, hydrochloride
CID 24843878

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 3047055) is 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide is CC(C)Oc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)=N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is WUOLJLFSBZHTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13(2)25-17-9-7-16(8-10-17)21-19(24)23-12-11-18(22-23)14-3-5-15(20)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 3047055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).