2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide

C12H22N4O — CID 43575022

IUPAC2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-10(2)15-12(17)9-16-8-11(13)7-14-16/h7-8,10H,3-6,9,13H2,1-2H3,(H,15,17)
InChIKeyBYTOFYDHODPOLJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.55
Rot. Bonds7

About 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide

2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide (PubChem CID 43575022) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide
PubChem CID43575022
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-10(2)15-12(17)9-16-8-11(13)7-14-16/h7-8,10H,3-6,9,13H2,1-2H3,(H,15,17)
InChIKeyBYTOFYDHODPOLJ-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 43445359
2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 93081118
2-(4-aminopyrazol-1-yl)-N-octan-4-ylacetamide
CID 106021739
2-(4-aminopyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 61113208
2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 107211178
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
CID 62197855
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598
methyl 1-[2-(heptan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103720880
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate
CID 61488037
2-(4-aminopyrazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 43445291

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide (CID 43575022) is 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide is CCCCCC(C)NC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide?
The InChIKey is BYTOFYDHODPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-6-10(2)15-12(17)9-16-8-11(13)7-14-16/h7-8,10H,3-6,9,13H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide?
2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.55, 7 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-heptan-2-ylacetamide is sourced from PubChem (CID 43575022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).