3-(1H-pyrazol-4-yl)butanoic acid

C7H10N2O2 — CID 82595364

IUPAC3-(1H-pyrazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1cn[nH]c1
InChIInChI=1S/C7H10N2O2/c1-5(2-7(10)11)6-3-8-9-4-6/h3-5H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyNVRLGGNNBGNRCW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.99
Rot. Bonds3

About 3-(1H-pyrazol-4-yl)butanoic acid

3-(1H-pyrazol-4-yl)butanoic acid (PubChem CID 82595364) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)butanoic acid
PubChem CID82595364
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(1H-pyrazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1cn[nH]c1
InChIInChI=1S/C7H10N2O2/c1-5(2-7(10)11)6-3-8-9-4-6/h3-5H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyNVRLGGNNBGNRCW-UHFFFAOYSA-N
XLogP0.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid
CID 83879906
3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid
CID 83875396
3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106215570
3-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 83389337
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 106215666
3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide
CID 90178209
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
2-[5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]thiophen-2-yl]acetic acid
CID 114158445
4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106215523

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)butanoic acid?
The IUPAC name of 3-(1H-pyrazol-4-yl)butanoic acid (CID 82595364) is 3-(1H-pyrazol-4-yl)butanoic acid.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)butanoic acid?
The canonical SMILES for 3-(1H-pyrazol-4-yl)butanoic acid is CC(CC(=O)O)c1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)butanoic acid?
The InChIKey is NVRLGGNNBGNRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(2-7(10)11)6-3-8-9-4-6/h3-5H,2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-(1H-pyrazol-4-yl)butanoic acid?
3-(1H-pyrazol-4-yl)butanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)butanoic acid is sourced from PubChem (CID 82595364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).