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

C12H22N4O — CID 104618390

IUPAC4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCC(C)c1cc(NC(=O)CCC(C)(C)N)n[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)9-7-10(16-15-9)14-11(17)5-6-12(3,4)13/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyIPDVVKGQXILYEG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds5

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

4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide (PubChem CID 104618390) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
PubChem CID104618390
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCC(C)c1cc(NC(=O)CCC(C)(C)N)n[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)9-7-10(16-15-9)14-11(17)5-6-12(3,4)13/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyIPDVVKGQXILYEG-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 113245549
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
CID 112686564
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618326
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 112639598
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 47404938

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide (CID 104618390) is 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide is CC(C)c1cc(NC(=O)CCC(C)(C)N)n[nH]1.
What is the InChIKey of 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is IPDVVKGQXILYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)9-7-10(16-15-9)14-11(17)5-6-12(3,4)13/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 238.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 104618390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).