1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid

C13H17N3O3 — CID 120530593

IUPAC1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1ccnn1C1CCCC1
InChIInChI=1S/C13H17N3O3/c17-11(15-13(6-7-13)12(18)19)10-5-8-14-16(10)9-3-1-2-4-9/h5,8-9H,1-4,6-7H2,(H,15,17)(H,18,19)
InChIKeyVOFGEAIAWIKZFZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.35
Rot. Bonds4

About 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid

1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 120530593) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID120530593
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1ccnn1C1CCCC1
InChIInChI=1S/C13H17N3O3/c17-11(15-13(6-7-13)12(18)19)10-5-8-14-16(10)9-3-1-2-4-9/h5,8-9H,1-4,6-7H2,(H,15,17)(H,18,19)
InChIKeyVOFGEAIAWIKZFZ-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 120530593) is 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1ccnn1C1CCCC1.
What is the InChIKey of 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is VOFGEAIAWIKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11(15-13(6-7-13)12(18)19)10-5-8-14-16(10)9-3-1-2-4-9/h5,8-9H,1-4,6-7H2,(H,15,17)(H,18,19).
What are the key properties of 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentylpyrazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120530593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).