4-(4-carbamoylpyrazol-1-yl)pentanoic acid

C9H13N3O3 — CID 62829226

IUPAC4-(4-carbamoylpyrazol-1-yl)pentanoic acid
SMILESCC(CCC(=O)O)n1cc(C(N)=O)cn1
InChIInChI=1S/C9H13N3O3/c1-6(2-3-8(13)14)12-5-7(4-11-12)9(10)15/h4-6H,2-3H2,1H3,(H2,10,15)(H,13,14)
InChIKeyHGMZIYMFXYCBBS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.41
Rot. Bonds5

About 4-(4-carbamoylpyrazol-1-yl)pentanoic acid

4-(4-carbamoylpyrazol-1-yl)pentanoic acid (PubChem CID 62829226) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(4-carbamoylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-(4-carbamoylpyrazol-1-yl)pentanoic acid
PubChem CID62829226
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-(4-carbamoylpyrazol-1-yl)pentanoic acid
SMILESCC(CCC(=O)O)n1cc(C(N)=O)cn1
InChIInChI=1S/C9H13N3O3/c1-6(2-3-8(13)14)12-5-7(4-11-12)9(10)15/h4-6H,2-3H2,1H3,(H2,10,15)(H,13,14)
InChIKeyHGMZIYMFXYCBBS-UHFFFAOYSA-N
XLogP0.41
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpyrazol-1-yl)pentanoic acid
CID 62213453
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
4-(4-phenylpyrazol-1-yl)pentanoic acid
CID 62772191
methyl 3-(4-carbamoylpyrazol-1-yl)butanoate
CID 62828712
1-(1-pentan-2-ylpyrazol-4-yl)ethanone
CID 107886856
1-(1-aminopentan-3-yl)pyrazole-4-carboxamide
CID 64780864
1-butan-2-ylpyrazole-4-carboxylic acid
CID 61272060
3-(4-ethoxycarbonylpyrazol-1-yl)butanoic acid
CID 81498416
1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 174395549
4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid
CID 142144868
1-[1-(3-aminophenyl)ethyl]pyrazole-4-carboxamide
CID 64781432
(3S)-3-(4-methylpyrazol-1-yl)butanoic acid
CID 93345108

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 4-(4-carbamoylpyrazol-1-yl)pentanoic acid (CID 62829226) is 4-(4-carbamoylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 4-(4-carbamoylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 4-(4-carbamoylpyrazol-1-yl)pentanoic acid is CC(CCC(=O)O)n1cc(C(N)=O)cn1.
What is the InChIKey of 4-(4-carbamoylpyrazol-1-yl)pentanoic acid?
The InChIKey is HGMZIYMFXYCBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(2-3-8(13)14)12-5-7(4-11-12)9(10)15/h4-6H,2-3H2,1H3,(H2,10,15)(H,13,14).
What are the key properties of 4-(4-carbamoylpyrazol-1-yl)pentanoic acid?
4-(4-carbamoylpyrazol-1-yl)pentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 62829226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).