9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide

C15H23N5O2 — CID 120986139

IUPAC9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)C2CC3CCCC(C2)C3N)cn1
InChIInChI=1S/C15H23N5O2/c16-13(21)8-20-7-12(6-18-20)19-15(22)11-4-9-2-1-3-10(5-11)14(9)17/h6-7,9-11,14H,1-5,8,17H2,(H2,16,21)(H,19,22)
InChIKeyVRXOFCZWVRPJGG-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.46
Rot. Bonds4

About 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120986139) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120986139
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)C2CC3CCCC(C2)C3N)cn1
InChIInChI=1S/C15H23N5O2/c16-13(21)8-20-7-12(6-18-20)19-15(22)11-4-9-2-1-3-10(5-11)14(9)17/h6-7,9-11,14H,1-5,8,17H2,(H2,16,21)(H,19,22)
InChIKeyVRXOFCZWVRPJGG-UHFFFAOYSA-N
XLogP0.46
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43705836
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-oxopiperidine-3-carboxamide
CID 112731492
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993240
2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
9-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985118
3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119800850

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120986139) is 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide is NC(=O)Cn1cc(NC(=O)C2CC3CCCC(C2)C3N)cn1.
What is the InChIKey of 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is VRXOFCZWVRPJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-13(21)8-20-7-12(6-18-20)19-15(22)11-4-9-2-1-3-10(5-11)14(9)17/h6-7,9-11,14H,1-5,8,17H2,(H2,16,21)(H,19,22).
What are the key properties of 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120986139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).