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

C10H18N4O — CID 104618436

IUPAC3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(N)CC(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C10H18N4O/c1-6(2)8-5-9(14-13-8)12-10(15)4-7(3)11/h5-7H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyWUYHSDIRPUNVIY-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.21
Rot. Bonds4

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

3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide (PubChem CID 104618436) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
PubChem CID104618436
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(N)CC(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C10H18N4O/c1-6(2)8-5-9(14-13-8)12-10(15)4-7(3)11/h5-7H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyWUYHSDIRPUNVIY-UHFFFAOYSA-N
XLogP1.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
CID 112686564
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
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 113245549
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618326
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104618474

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide (CID 104618436) is 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide is CC(N)CC(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The InChIKey is WUYHSDIRPUNVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)8-5-9(14-13-8)12-10(15)4-7(3)11/h5-7H,4,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide has a molecular weight of 210.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 104618436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).