1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid

C13H19N3O3 — CID 120550042

IUPAC1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCc1c(CNC(=O)CC2(C(=O)O)CCC2)cnn1C
InChIInChI=1S/C13H19N3O3/c1-9-10(8-15-16(9)2)7-14-11(17)6-13(12(18)19)4-3-5-13/h8H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeySINDRLBJTHHGSI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.99
Rot. Bonds5

About 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid

1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid (PubChem CID 120550042) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
PubChem CID120550042
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCc1c(CNC(=O)CC2(C(=O)O)CCC2)cnn1C
InChIInChI=1S/C13H19N3O3/c1-9-10(8-15-16(9)2)7-14-11(17)6-13(12(18)19)4-3-5-13/h8H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeySINDRLBJTHHGSI-UHFFFAOYSA-N
XLogP0.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 122109509
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 115886750
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 106047419
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126816544
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylpiperidine-4-carboxamide
CID 106047304
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103882141
1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 106035310
tert-butyl 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 126822697

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid (CID 120550042) is 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid is Cc1c(CNC(=O)CC2(C(=O)O)CCC2)cnn1C.
What is the InChIKey of 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The InChIKey is SINDRLBJTHHGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-10(8-15-16(9)2)7-14-11(17)6-13(12(18)19)4-3-5-13/h8H,3-7H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120550042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).