3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid

C9H13N3O3 — CID 64777796

IUPAC3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid
SMILESCNC(=O)c1ccn(C(C)CC(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-6(5-8(13)14)12-4-3-7(11-12)9(15)10-2/h3-4,6H,5H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyBFJWXRLPCCBLCU-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.28
Rot. Bonds4

About 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid

3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid (PubChem CID 64777796) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid
PubChem CID64777796
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid
SMILESCNC(=O)c1ccn(C(C)CC(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-6(5-8(13)14)12-4-3-7(11-12)9(15)10-2/h3-4,6H,5H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyBFJWXRLPCCBLCU-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
1-propyl-1H-pyrazole-3-carboxamide
CID 21658321
3-(3-formyl-1H-pyrazol-1-yl)propanoic acid
CID 84106755
N-methyl-1-(piperidin-3-yl)-1H-pyrazole-3-carboxamide hydrochloride
CID 86775453
N-methyl-1-(piperidin-3-yl)-1H-pyrazole-3-carboxamide dihydrochloride
CID 86775551
4-(1H-pyrazole-5-carbonylamino)butanoic acid
CID 43355123

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid (CID 64777796) is 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid is CNC(=O)c1ccn(C(C)CC(=O)O)n1.
What is the InChIKey of 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid?
The InChIKey is BFJWXRLPCCBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(5-8(13)14)12-4-3-7(11-12)9(15)10-2/h3-4,6H,5H2,1-2H3,(H,10,15)(H,13,14).
What are the key properties of 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid?
3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 64777796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).