N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C20H32N4O — CID 56799999

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)N2CC3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C20H32N4O/c1-13(11-24-15(3)4-14(2)22-24)10-21-20(25)23-12-18-6-16-5-17(7-18)9-19(23)8-16/h4,13,16-19H,5-12H2,1-3H3,(H,21,25)
InChIKeyQXBINYFXLCXYHP-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.36
Rot. Bonds4

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 56799999) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID56799999
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)N2CC3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C20H32N4O/c1-13(11-24-15(3)4-14(2)22-24)10-21-20(25)23-12-18-6-16-5-17(7-18)9-19(23)8-16/h4,13,16-19H,5-12H2,1-3H3,(H,21,25)
InChIKeyQXBINYFXLCXYHP-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,8S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 95237463
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 94031608
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 86838513
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 87007925
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 55929291
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
CID 91636205
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51960032
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028953
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028952
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504956
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618588

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 56799999) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)N2CC3CC4CC(C3)CC2C4)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is QXBINYFXLCXYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-13(11-24-15(3)4-14(2)22-24)10-21-20(25)23-12-18-6-16-5-17(7-18)9-19(23)8-16/h4,13,16-19H,5-12H2,1-3H3,(H,21,25).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 56799999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).