N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide

C8H14N4O — CID 162759817

IUPACN-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(N)n(C)n1
InChIInChI=1S/C8H14N4O/c1-5(2)8(13)10-7-4-6(9)12(3)11-7/h4-5H,9H2,1-3H3,(H,10,11,13)
InChIKeyJGWNFNCMYPJOMR-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.60
Rot. Bonds2

About N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide

N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide (PubChem CID 162759817) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide
PubChem CID162759817
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(N)n(C)n1
InChIInChI=1S/C8H14N4O/c1-5(2)8(13)10-7-4-6(9)12(3)11-7/h4-5H,9H2,1-3H3,(H,10,11,13)
InChIKeyJGWNFNCMYPJOMR-UHFFFAOYSA-N
XLogP0.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
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2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
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(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
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2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
CID 130497501
N-(5-amino-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 18525004
methyl 2-(5-amino-1-methylpyrazol-3-yl)acetate
CID 84653383
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
2-bromo-N-(1,5-dimethylpyrazol-3-yl)butanamide
CID 130496769
N-(7-amino-1,8-naphthyridin-2-yl)-2-methylpropanamide
CID 46866816
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CID 131005414

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide (CID 162759817) is N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(N)n(C)n1.
What is the InChIKey of N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide?
The InChIKey is JGWNFNCMYPJOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)8(13)10-7-4-6(9)12(3)11-7/h4-5H,9H2,1-3H3,(H,10,11,13).
What are the key properties of N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide?
N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide has a molecular weight of 182.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 162759817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).