(1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

C15H24N4O — CID 133110485

IUPAC(1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)c(C)n1
InChIInChI=1S/C15H24N4O/c1-4-18-10-14(11(2)16-18)15(20)19-8-12-5-6-13(19)9-17(3)7-12/h10,12-13H,4-9H2,1-3H3/t12-,13+/m1/s1
InChIKeyZDHJBRCUCMMVPO-OLZOCXBDSA-N
MW276.38 g/mol
LogP1.38
Rot. Bonds2

About (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

(1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 133110485) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID133110485
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)c(C)n1
InChIInChI=1S/C15H24N4O/c1-4-18-10-14(11(2)16-18)15(20)19-8-12-5-6-13(19)9-17(3)7-12/h10,12-13H,4-9H2,1-3H3/t12-,13+/m1/s1
InChIKeyZDHJBRCUCMMVPO-OLZOCXBDSA-N
XLogP1.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone 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

(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
(1R*,5R*)-6-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133114118
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 42352823
(4-ethylpiperazino)(5-isopropyl-1-methyl-1H-pyrazol-4-yl)methanone
CID 42669804
N,N-dicyclohexyl-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
CID 19575453
4-(cyclohexylmethyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 42544404

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 133110485) is (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is CCn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)c(C)n1.
What is the InChIKey of (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is ZDHJBRCUCMMVPO-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-18-10-14(11(2)16-18)15(20)19-8-12-5-6-13(19)9-17(3)7-12/h10,12-13H,4-9H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
(1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpyrazol-4-yl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 133110485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).