(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide

C19H34N4O — CID 92586799

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)(C)CN1CCCCC1)n1nc(C)cc1C
InChIInChI=1S/C19H34N4O/c1-6-10-17(23-16(3)13-15(2)21-23)18(24)20-19(4,5)14-22-11-8-7-9-12-22/h13,17H,6-12,14H2,1-5H3,(H,20,24)
InChIKeyDGOYDIQXHPHVOL-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.22
Rot. Bonds7

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide (PubChem CID 92586799) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide
PubChem CID92586799
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)(C)CN1CCCCC1)n1nc(C)cc1C
InChIInChI=1S/C19H34N4O/c1-6-10-17(23-16(3)13-15(2)21-23)18(24)20-19(4,5)14-22-11-8-7-9-12-22/h13,17H,6-12,14H2,1-5H3,(H,20,24)
InChIKeyDGOYDIQXHPHVOL-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3,5-dimethylpyrazol-1-yl)pentanamide
CID 92586805
2-(3,5-dimethylpyrazol-1-yl)-4-oxo-4-piperidin-1-ylbutanoate
CID 4520468
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one
CID 51593974
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
4-O-cyclohexyl 1-O-ethyl 2-(3,5-dimethylpyrazol-1-yl)butanedioate
CID 10496080
5-ethyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146092308
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide
CID 51593987
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 72934848
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446024
(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124610502
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-2-methylbutanoic acid
CID 119199177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide (CID 92586799) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide is CCCC(C(=O)NC(C)(C)CN1CCCCC1)n1nc(C)cc1C.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide?
The InChIKey is DGOYDIQXHPHVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-6-10-17(23-16(3)13-15(2)21-23)18(24)20-19(4,5)14-22-11-8-7-9-12-22/h13,17H,6-12,14H2,1-5H3,(H,20,24).
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide has a molecular weight of 334.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 92586799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).