1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C15H22N4O3 — CID 19506283

IUPAC1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCC(C(=O)NC1CC2CCC(C1)N2C)n1ccc(C(=O)O)n1
InChIInChI=1S/C15H22N4O3/c1-9(19-6-5-13(17-19)15(21)22)14(20)16-10-7-11-3-4-12(8-10)18(11)2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,20)(H,21,22)
InChIKeyAGDOFEQRTZZRDO-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.88
Rot. Bonds4

About 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19506283) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19506283
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCC(C(=O)NC1CC2CCC(C1)N2C)n1ccc(C(=O)O)n1
InChIInChI=1S/C15H22N4O3/c1-9(19-6-5-13(17-19)15(21)22)14(20)16-10-7-11-3-4-12(8-10)18(11)2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,20)(H,21,22)
InChIKeyAGDOFEQRTZZRDO-UHFFFAOYSA-N
XLogP0.88
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470773
1-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504430
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
1-[1-(3-fluoroanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504555
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
1-[1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504520
1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624339
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534842
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
1-[1-[3-(4-chloro-3-methylpyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624364
1-[1-[(1-benzyl-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506267
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 113377319

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19506283) is 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is CC(C(=O)NC1CC2CCC(C1)N2C)n1ccc(C(=O)O)n1.
What is the InChIKey of 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is AGDOFEQRTZZRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(19-6-5-13(17-19)15(21)22)14(20)16-10-7-11-3-4-12(8-10)18(11)2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,20)(H,21,22).
What are the key properties of 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19506283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).