1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid

C10H14N4O3 — CID 102806633

IUPAC1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCc1nn(C)cc1NC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C10H14N4O3/c1-6-8(5-13(2)12-6)11-10(17)14-3-7(4-14)9(15)16/h5,7H,3-4H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyAMVPDFDCCBNBIA-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.28
Rot. Bonds2

About 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid

1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid (PubChem CID 102806633) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid
PubChem CID102806633
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCc1nn(C)cc1NC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C10H14N4O3/c1-6-8(5-13(2)12-6)11-10(17)14-3-7(4-14)9(15)16/h5,7H,3-4H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyAMVPDFDCCBNBIA-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methyl-3-phenylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088712
4-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 102806619
6-[(1,3-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620255
N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide
CID 102807490
(3S)-1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 103955881
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid
CID 102806931
(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 102806525
4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
CID 102805596
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid (CID 102806633) is 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid is Cc1nn(C)cc1NC(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is AMVPDFDCCBNBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6-8(5-13(2)12-6)11-10(17)14-3-7(4-14)9(15)16/h5,7H,3-4H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid?
1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 102806633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).