N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide

C9H16N4O — CID 79529836

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1cn[nH]c1N
InChIInChI=1S/C9H16N4O/c1-9(2,3)8(14)11-4-6-5-12-13-7(6)10/h5H,4H2,1-3H3,(H,11,14)(H3,10,12,13)
InChIKeyQKVYEIPVZRSUBG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.65
Rot. Bonds2

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 79529836) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
PubChem CID79529836
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1cn[nH]c1N
InChIInChI=1S/C9H16N4O/c1-9(2,3)8(14)11-4-6-5-12-13-7(6)10/h5H,4H2,1-3H3,(H,11,14)(H3,10,12,13)
InChIKeyQKVYEIPVZRSUBG-UHFFFAOYSA-N
XLogP0.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide (CID 79529836) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1cn[nH]c1N.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is QKVYEIPVZRSUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,3)8(14)11-4-6-5-12-13-7(6)10/h5H,4H2,1-3H3,(H,11,14)(H3,10,12,13).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.65, 2 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 79529836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).