2-(1-methylpyrazol-4-yl)pentanoic acid

C9H14N2O2 — CID 83042529

IUPAC2-(1-methylpyrazol-4-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C9H14N2O2/c1-3-4-8(9(12)13)7-5-10-11(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,12,13)
InChIKeyOEXITWGQFLRAME-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.39
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)pentanoic acid

2-(1-methylpyrazol-4-yl)pentanoic acid (PubChem CID 83042529) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)pentanoic acid
PubChem CID83042529
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(1-methylpyrazol-4-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C9H14N2O2/c1-3-4-8(9(12)13)7-5-10-11(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,12,13)
InChIKeyOEXITWGQFLRAME-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279611
1-(1-methylpyrazol-4-yl)pentane-1,2-diol
CID 103454881
2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid
CID 118104942
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 63702731
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
2-(1-methylpyrazol-4-yl)-1-piperazin-1-ylbutan-1-one
CID 82510773
2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 43630219
(2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide
CID 124747356

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)pentanoic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)pentanoic acid (CID 83042529) is 2-(1-methylpyrazol-4-yl)pentanoic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)pentanoic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)pentanoic acid is CCCC(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)pentanoic acid?
The InChIKey is OEXITWGQFLRAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-8(9(12)13)7-5-10-11(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-methylpyrazol-4-yl)pentanoic acid?
2-(1-methylpyrazol-4-yl)pentanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)pentanoic acid is sourced from PubChem (CID 83042529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).