N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C18H31N5O — CID 71867150

IUPACN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)Nc1cc(CC(C)(C)C)nn1C)CC2
InChIInChI=1S/C18H31N5O/c1-18(2,3)11-13-10-16(22(5)20-13)19-17(24)23-9-8-14-6-7-15(12-23)21(14)4/h10,14-15H,6-9,11-12H2,1-5H3,(H,19,24)
InChIKeyBXLUKASJYXGQPB-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.71
Rot. Bonds2

About N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 71867150) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID71867150
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)Nc1cc(CC(C)(C)C)nn1C)CC2
InChIInChI=1S/C18H31N5O/c1-18(2,3)11-13-10-16(22(5)20-13)19-17(24)23-9-8-14-6-7-15(12-23)21(14)4/h10,14-15H,6-9,11-12H2,1-5H3,(H,19,24)
InChIKeyBXLUKASJYXGQPB-UHFFFAOYSA-N
XLogP2.71
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 71867150) is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1C2CCC1CN(C(=O)Nc1cc(CC(C)(C)C)nn1C)CC2.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is BXLUKASJYXGQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-18(2,3)11-13-10-16(22(5)20-13)19-17(24)23-9-8-14-6-7-15(12-23)21(14)4/h10,14-15H,6-9,11-12H2,1-5H3,(H,19,24).
What are the key properties of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 71867150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).