2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid

C12H20N2O2 — CID 64772577

IUPAC2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
SMILESCCCC(Cc1ccn(C(C)C)n1)C(=O)O
InChIInChI=1S/C12H20N2O2/c1-4-5-10(12(15)16)8-11-6-7-14(13-11)9(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyKDGWMQPGGMSIPZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.51
Rot. Bonds6

About 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid

2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid (PubChem CID 64772577) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
PubChem CID64772577
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
SMILESCCCC(Cc1ccn(C(C)C)n1)C(=O)O
InChIInChI=1S/C12H20N2O2/c1-4-5-10(12(15)16)8-11-6-7-14(13-11)9(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyKDGWMQPGGMSIPZ-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-3-oxo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 103973541
2-[(4-chlorophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64771687
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
1-(1-propan-2-ylpyrazol-3-yl)nonan-2-ol
CID 64770989
2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid
CID 64771244
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
CID 171523336
2-[[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]methyl]butanoic acid
CID 114251142

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid (CID 64772577) is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid is CCCC(Cc1ccn(C(C)C)n1)C(=O)O.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid?
The InChIKey is KDGWMQPGGMSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-5-10(12(15)16)8-11-6-7-14(13-11)9(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid?
2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid has a molecular weight of 224.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid is sourced from PubChem (CID 64772577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).