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

C11H20N4O — CID 104618326

IUPAC4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(CCN)C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H20N4O/c1-7(2)9-6-10(15-14-9)13-11(16)8(3)4-5-12/h6-8H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyKSLAPFLFRXRXAS-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.46
Rot. Bonds5

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

4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide (PubChem CID 104618326) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
PubChem CID104618326
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(CCN)C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H20N4O/c1-7(2)9-6-10(15-14-9)13-11(16)8(3)4-5-12/h6-8H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyKSLAPFLFRXRXAS-UHFFFAOYSA-N
XLogP1.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.46
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)propanamide
CID 115976344
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 112639598
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
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
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 113245549
6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide
CID 65291097
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104618474
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide (CID 104618326) is 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide is CC(CCN)C(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The InChIKey is KSLAPFLFRXRXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)9-6-10(15-14-9)13-11(16)8(3)4-5-12/h6-8H,4-5,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide has a molecular weight of 224.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 104618326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).