2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide

C9H16N4O — CID 90104259

IUPAC2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)n1cc(N)cn1
InChIInChI=1S/C9H16N4O/c1-4-11-8(14)9(2,3)13-6-7(10)5-12-13/h5-6H,4,10H2,1-3H3,(H,11,14)
InChIKeyDUSJFRYLRCMSOL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide

2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide (PubChem CID 90104259) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide
PubChem CID90104259
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)n1cc(N)cn1
InChIInChI=1S/C9H16N4O/c1-4-11-8(14)9(2,3)13-6-7(10)5-12-13/h5-6H,4,10H2,1-3H3,(H,11,14)
InChIKeyDUSJFRYLRCMSOL-UHFFFAOYSA-N
XLogP0.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-amino-1H-pyrazol-1-yl)acetamide
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2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
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2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
tert-butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate
CID 70984316
tert-butyl (3-(4-amino-1H-pyrazol-1-yl)propyl)carbamate
CID 84728083
3-(4-amino-1H-pyrazol-1-yl)pyrrolidin-2-one
CID 137698641
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
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CID 51098380

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide (CID 90104259) is 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide is CCNC(=O)C(C)(C)n1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide?
The InChIKey is DUSJFRYLRCMSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-11-8(14)9(2,3)13-6-7(10)5-12-13/h5-6H,4,10H2,1-3H3,(H,11,14).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide?
2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 90104259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).