3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid

C9H12N2O2 — CID 83875396

IUPAC3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid
SMILESO=C(O)CC(c1cn[nH]c1)C1CC1
InChIInChI=1S/C9H12N2O2/c12-9(13)3-8(6-1-2-6)7-4-10-11-5-7/h4-6,8H,1-3H2,(H,10,11)(H,12,13)
InChIKeyZDVVWXRDDNUUIB-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.38
Rot. Bonds4

About 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid

3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid (PubChem CID 83875396) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid
PubChem CID83875396
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid
SMILESO=C(O)CC(c1cn[nH]c1)C1CC1
InChIInChI=1S/C9H12N2O2/c12-9(13)3-8(6-1-2-6)7-4-10-11-5-7/h4-6,8H,1-3H2,(H,10,11)(H,12,13)
InChIKeyZDVVWXRDDNUUIB-UHFFFAOYSA-N
XLogP1.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82595364
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CID 83819863
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
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3-(4-bromo-3,5-difluorophenyl)-3-cyclopropylpropanoic acid
CID 117490252
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-cyclopropyl-3-(2-oxo-1H-quinoxalin-6-yl)propanoic acid
CID 117399042
3-(1,2-benzothiazol-6-yl)-3-cyclopropylpropanoic acid
CID 117370834
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
(3S)-3-cyclopropyl-3-(1,3-thiazol-5-yl)propanoic acid;sulfane
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[cyclopropyl(1H-pyrazol-4-yl)methyl] formate
CID 174599588
3-cyclopropyl-3-(3-methylisoquinolin-7-yl)propanoic acid
CID 117391433

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid (CID 83875396) is 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid is O=C(O)CC(c1cn[nH]c1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid?
The InChIKey is ZDVVWXRDDNUUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)3-8(6-1-2-6)7-4-10-11-5-7/h4-6,8H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid?
3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 83875396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).