2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide

C12H22N4O — CID 112639598

IUPAC2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCC(C)CC(N)C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C12H22N4O/c1-7(2)5-9(13)12(17)14-11-6-10(8(3)4)15-16-11/h6-9H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyNNQWUQGGSJJKDB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.85
Rot. Bonds5

About 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide

2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide (PubChem CID 112639598) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
PubChem CID112639598
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCC(C)CC(N)C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C12H22N4O/c1-7(2)5-9(13)12(17)14-11-6-10(8(3)4)15-16-11/h6-9H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyNNQWUQGGSJJKDB-UHFFFAOYSA-N
XLogP1.85
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119794268
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618326
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
CID 112686564
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide
CID 10704927
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide
CID 112639590

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide (CID 112639598) is 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide is CC(C)CC(N)C(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is NNQWUQGGSJJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(2)5-9(13)12(17)14-11-6-10(8(3)4)15-16-11/h6-9H,5,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 238.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 112639598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).