2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid

C14H21N3O3 — CID 75516537

IUPAC2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(C)(C)c1cc(C(=O)NC(C)(C(=O)O)C2CC2)n[nH]1
InChIInChI=1S/C14H21N3O3/c1-13(2,3)10-7-9(16-17-10)11(18)15-14(4,12(19)20)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyPUYYCBXYDIDCHX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.69
Rot. Bonds4

About 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid

2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 75516537) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid
PubChem CID75516537
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(C)(C)c1cc(C(=O)NC(C)(C(=O)O)C2CC2)n[nH]1
InChIInChI=1S/C14H21N3O3/c1-13(2,3)10-7-9(16-17-10)11(18)15-14(4,12(19)20)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyPUYYCBXYDIDCHX-UHFFFAOYSA-N
XLogP1.69
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid (CID 75516537) is 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid is CC(C)(C)c1cc(C(=O)NC(C)(C(=O)O)C2CC2)n[nH]1.
What is the InChIKey of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is PUYYCBXYDIDCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-13(2,3)10-7-9(16-17-10)11(18)15-14(4,12(19)20)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid?
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 75516537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).