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

C9H14N2O2 — CID 83530132

IUPAC2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid
SMILESCc1[nH]nc(C(C)C)c1CC(=O)O
InChIInChI=1S/C9H14N2O2/c1-5(2)9-7(4-8(12)13)6(3)10-11-9/h5H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyVVBDRUHUBBEEBL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds3

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

2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid (PubChem CID 83530132) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid
PubChem CID83530132
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid
SMILESCc1[nH]nc(C(C)C)c1CC(=O)O
InChIInChI=1S/C9H14N2O2/c1-5(2)9-7(4-8(12)13)6(3)10-11-9/h5H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyVVBDRUHUBBEEBL-UHFFFAOYSA-N
XLogP1.47
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid (CID 83530132) is 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid is Cc1[nH]nc(C(C)C)c1CC(=O)O.
What is the InChIKey of 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is VVBDRUHUBBEEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(2)9-7(4-8(12)13)6(3)10-11-9/h5H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83530132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).