2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid

C11H15N3O3 — CID 46737187

IUPAC2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C2CCCC2)cn1
InChIInChI=1S/C11H15N3O3/c15-10(16)7-14-6-9(5-12-14)13-11(17)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,17)(H,15,16)
InChIKeyBWPLQDUKXAUMRH-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.10
Rot. Bonds4

About 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid

2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid (PubChem CID 46737187) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid
PubChem CID46737187
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C2CCCC2)cn1
InChIInChI=1S/C11H15N3O3/c15-10(16)7-14-6-9(5-12-14)13-11(17)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,17)(H,15,16)
InChIKeyBWPLQDUKXAUMRH-UHFFFAOYSA-N
XLogP1.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid (CID 46737187) is 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)C2CCCC2)cn1.
What is the InChIKey of 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is BWPLQDUKXAUMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(16)7-14-6-9(5-12-14)13-11(17)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid?
2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 46737187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).