N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide

C13H17N3O2 — CID 67807239

IUPACN-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CC=CN2)cc1
InChIInChI=1S/C13H17N3O2/c1-10(2)18-12-6-4-11(5-7-12)15-13(17)16-9-3-8-14-16/h3-8,10,14H,9H2,1-2H3,(H,15,17)
InChIKeyRAWHWSGXWXCREW-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.34
Rot. Bonds3

About N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide

N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide (PubChem CID 67807239) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide
PubChem CID67807239
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CC=CN2)cc1
InChIInChI=1S/C13H17N3O2/c1-10(2)18-12-6-4-11(5-7-12)15-13(17)16-9-3-8-14-16/h3-8,10,14H,9H2,1-2H3,(H,15,17)
InChIKeyRAWHWSGXWXCREW-UHFFFAOYSA-N
XLogP2.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
(3S,4S)-1-[(4-propan-2-yloxyphenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122076386
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52513400

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide (CID 67807239) is N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide is CC(C)Oc1ccc(NC(=O)N2CC=CN2)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide?
The InChIKey is RAWHWSGXWXCREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(2)18-12-6-4-11(5-7-12)15-13(17)16-9-3-8-14-16/h3-8,10,14H,9H2,1-2H3,(H,15,17).
What are the key properties of N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide?
N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-1,3-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 67807239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).