2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide

C12H22N4O — CID 62904611

IUPAC2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
SMILESCC(C)C(CN)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H22N4O/c1-8(2)11(5-13)12(17)15-10-6-14-16(7-10)9(3)4/h6-9,11H,5,13H2,1-4H3,(H,15,17)
InChIKeyVZNRYNIOSKASPX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.63
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide

2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide (PubChem CID 62904611) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
PubChem CID62904611
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
SMILESCC(C)C(CN)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H22N4O/c1-8(2)11(5-13)12(17)15-10-6-14-16(7-10)9(3)4/h6-9,11H,5,13H2,1-4H3,(H,15,17)
InChIKeyVZNRYNIOSKASPX-UHFFFAOYSA-N
XLogP1.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62904276
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
CID 65360004
2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 81168482
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618216
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide (CID 62904611) is 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide is CC(C)C(CN)C(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The InChIKey is VZNRYNIOSKASPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)11(5-13)12(17)15-10-6-14-16(7-10)9(3)4/h6-9,11H,5,13H2,1-4H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide is sourced from PubChem (CID 62904611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).