N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide

C12H22N4O — CID 79531018

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCc1cn[nH]c1N)C(C)(C)C
InChIInChI=1S/C12H22N4O/c1-8(12(2,3)4)5-10(17)14-6-9-7-15-16-11(9)13/h7-8H,5-6H2,1-4H3,(H,14,17)(H3,13,15,16)
InChIKeyKOCWTKFZUZLOPW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.68
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide (PubChem CID 79531018) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide
PubChem CID79531018
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCc1cn[nH]c1N)C(C)(C)C
InChIInChI=1S/C12H22N4O/c1-8(12(2,3)4)5-10(17)14-6-9-7-15-16-11(9)13/h7-8H,5-6H2,1-4H3,(H,14,17)(H3,13,15,16)
InChIKeyKOCWTKFZUZLOPW-UHFFFAOYSA-N
XLogP1.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 63822003
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
CID 79531497
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide
CID 79531500
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 79530146
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 79530881
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79531033
N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79530288
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide (CID 79531018) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide is CC(CC(=O)NCc1cn[nH]c1N)C(C)(C)C.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide?
The InChIKey is KOCWTKFZUZLOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(12(2,3)4)5-10(17)14-6-9-7-15-16-11(9)13/h7-8H,5-6H2,1-4H3,(H,14,17)(H3,13,15,16).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide has a molecular weight of 238.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 79531018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).