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

C15H22N4O3 — CID 19470773

IUPAC1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCN1C2CCC1CC(NC(=O)CCn1ccc(C(=O)O)n1)C2
InChIInChI=1S/C15H22N4O3/c1-18-11-2-3-12(18)9-10(8-11)16-14(20)5-7-19-6-4-13(17-19)15(21)22/h4,6,10-12H,2-3,5,7-9H2,1H3,(H,16,20)(H,21,22)
InChIKeyNBNOUYKNHMRLEN-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.71
Rot. Bonds5

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

1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19470773) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
PubChem CID19470773
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCN1C2CCC1CC(NC(=O)CCn1ccc(C(=O)O)n1)C2
InChIInChI=1S/C15H22N4O3/c1-18-11-2-3-12(18)9-10(8-11)16-14(20)5-7-19-6-4-13(17-19)15(21)22/h4,6,10-12H,2-3,5,7-9H2,1H3,(H,16,20)(H,21,22)
InChIKeyNBNOUYKNHMRLEN-UHFFFAOYSA-N
XLogP0.71
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506283
3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19557611
N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273562
1-[3-oxo-3-(4-propan-2-ylanilino)propyl]pyrazole-3-carboxylic acid
CID 19470585
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19561565
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 167934556
1-[(2-chloro-5-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboxamide
CID 4776755
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
CID 11859507
1-[(2,4-dimethylphenoxy)methyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
CID 98273401
1-[3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19621893
1-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470667

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19470773) is 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid is CN1C2CCC1CC(NC(=O)CCn1ccc(C(=O)O)n1)C2.
What is the InChIKey of 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The InChIKey is NBNOUYKNHMRLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-18-11-2-3-12(18)9-10(8-11)16-14(20)5-7-19-6-4-13(17-19)15(21)22/h4,6,10-12H,2-3,5,7-9H2,1H3,(H,16,20)(H,21,22).
What are the key properties of 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19470773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).