3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid

C17H19N3O3 — CID 120541340

IUPAC3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1)C(=O)O
InChIInChI=1S/C17H19N3O3/c1-10(17(22)23)8-11-2-6-13(7-3-11)18-16(21)15-9-14(19-20-15)12-4-5-12/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyAZLUCAAWBUITHD-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.80
Rot. Bonds6

About 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid

3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 120541340) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID120541340
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1)C(=O)O
InChIInChI=1S/C17H19N3O3/c1-10(17(22)23)8-11-2-6-13(7-3-11)18-16(21)15-9-14(19-20-15)12-4-5-12/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyAZLUCAAWBUITHD-UHFFFAOYSA-N
XLogP2.80
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid (CID 120541340) is 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid is CC(Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1)C(=O)O.
What is the InChIKey of 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is AZLUCAAWBUITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10(17(22)23)8-11-2-6-13(7-3-11)18-16(21)15-9-14(19-20-15)12-4-5-12/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid?
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 120541340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).