2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid

C9H12N2O2 — CID 144506277

IUPAC2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1[nH]nc(C2CC2)c1CC(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-7(4-8(12)13)9(11-10-5)6-2-3-6/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyKCNVZYNFNUDEQU-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.22
Rot. Bonds3

About 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid

2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid (PubChem CID 144506277) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid
PubChem CID144506277
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1[nH]nc(C2CC2)c1CC(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-7(4-8(12)13)9(11-10-5)6-2-3-6/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyKCNVZYNFNUDEQU-UHFFFAOYSA-N
XLogP1.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid (CID 144506277) is 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid is Cc1[nH]nc(C2CC2)c1CC(=O)O.
What is the InChIKey of 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is KCNVZYNFNUDEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-7(4-8(12)13)9(11-10-5)6-2-3-6/h6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid?
2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 144506277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).