2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid

C18H23N3O3 — CID 19500181

IUPAC2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCCC(NC(=O)c1ccn(CC(=O)O)n1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-4-15(14-7-5-13(6-8-14)12(2)3)19-18(24)16-9-10-21(20-16)11-17(22)23/h5-10,12,15H,4,11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyAPUHWOZLBHNKPN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.97
Rot. Bonds7

About 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid

2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500181) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500181
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCCC(NC(=O)c1ccn(CC(=O)O)n1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-4-15(14-7-5-13(6-8-14)12(2)3)19-18(24)16-9-10-21(20-16)11-17(22)23/h5-10,12,15H,4,11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyAPUHWOZLBHNKPN-UHFFFAOYSA-N
XLogP2.97
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506544
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264563
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973
2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19502021
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
N-[1-(4-butan-2-ylphenyl)propyl]-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275324
2-[3-[1-(1-adamantyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500151
N-[1-(4-butan-2-ylphenyl)propyl]-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277743
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid (CID 19500181) is 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid is CCC(NC(=O)c1ccn(CC(=O)O)n1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is APUHWOZLBHNKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-15(14-7-5-13(6-8-14)12(2)3)19-18(24)16-9-10-21(20-16)11-17(22)23/h5-10,12,15H,4,11H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 329.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).