3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile

C22H31N5 — CID 9114158

IUPAC3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile
SMILESCC1(C)CC(NCc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C22H31N5/c1-21(2)13-19(14-22(3,4)26-21)24-15-18-16-27(12-8-11-23)25-20(18)17-9-6-5-7-10-17/h5-7,9-10,16,19,24,26H,8,12-15H2,1-4H3
InChIKeyBIGAQNFSZSAZIW-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.86
Rot. Bonds6

About 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile

3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile (PubChem CID 9114158) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile
PubChem CID9114158
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile
SMILESCC1(C)CC(NCc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C22H31N5/c1-21(2)13-19(14-22(3,4)26-21)24-15-18-16-27(12-8-11-23)25-20(18)17-9-6-5-7-10-17/h5-7,9-10,16,19,24,26H,8,12-15H2,1-4H3
InChIKeyBIGAQNFSZSAZIW-UHFFFAOYSA-N
XLogP3.86
TPSA65.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile with MolForge

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Related Compounds

Fezolamine
CID 54567
MK-1925
CID 44178080
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
[(E)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]thiourea
CID 6899913
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
3-[4-(5-Methyl-4-phenyl-pyrazol-1-yl)-piperidin-1-ylmethyl]-benzonitrile
CID 10360923

Frequently Asked Questions

What is the IUPAC name of 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile (CID 9114158) is 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile is CC1(C)CC(NCc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)N1.
What is the InChIKey of 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile?
The InChIKey is BIGAQNFSZSAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-21(2)13-19(14-22(3,4)26-21)24-15-18-16-27(12-8-11-23)25-20(18)17-9-6-5-7-10-17/h5-7,9-10,16,19,24,26H,8,12-15H2,1-4H3.
What are the key properties of 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile?
3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile has a molecular weight of 365.53 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-phenyl-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 9114158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).