N-hexyl-3-oxo-1H-pyrazole-2-carboxamide

C10H17N3O2 — CID 134846786

IUPACN-hexyl-3-oxo-1H-pyrazole-2-carboxamide
SMILESCCCCCCNC(=O)n1[nH]ccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-3-4-5-7-11-10(15)13-9(14)6-8-12-13/h6,8,12H,2-5,7H2,1H3,(H,11,15)
InChIKeyYRZIYUDCPGLXAX-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.31
Rot. Bonds5

About N-hexyl-3-oxo-1H-pyrazole-2-carboxamide

N-hexyl-3-oxo-1H-pyrazole-2-carboxamide (PubChem CID 134846786) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-hexyl-3-oxo-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-3-oxo-1H-pyrazole-2-carboxamide
PubChem CID134846786
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-hexyl-3-oxo-1H-pyrazole-2-carboxamide
SMILESCCCCCCNC(=O)n1[nH]ccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-3-4-5-7-11-10(15)13-9(14)6-8-12-13/h6,8,12H,2-5,7H2,1H3,(H,11,15)
InChIKeyYRZIYUDCPGLXAX-UHFFFAOYSA-N
XLogP1.31
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide
CID 67309310
N-dodecyl-1H-pyrrole-3-carboxamide
CID 175440908
N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584
3-amino-N-hexylpyrazole-1-carboxamide
CID 134862016
N-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
N,N'-diheptyloxamide
CID 3417538
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
N-pentyl-2,5-dihydropyrrole-1-carboxamide
CID 3824227
N-butyl-2,5-dioxopyrrole-1-carboxamide
CID 102248992
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-dodecyl-2,2-diphenylacetamide
CID 5143289

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-oxo-1H-pyrazole-2-carboxamide?
The IUPAC name of N-hexyl-3-oxo-1H-pyrazole-2-carboxamide (CID 134846786) is N-hexyl-3-oxo-1H-pyrazole-2-carboxamide.
What is the SMILES notation for N-hexyl-3-oxo-1H-pyrazole-2-carboxamide?
The canonical SMILES for N-hexyl-3-oxo-1H-pyrazole-2-carboxamide is CCCCCCNC(=O)n1[nH]ccc1=O.
What is the InChIKey of N-hexyl-3-oxo-1H-pyrazole-2-carboxamide?
The InChIKey is YRZIYUDCPGLXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-4-5-7-11-10(15)13-9(14)6-8-12-13/h6,8,12H,2-5,7H2,1H3,(H,11,15).
What are the key properties of N-hexyl-3-oxo-1H-pyrazole-2-carboxamide?
N-hexyl-3-oxo-1H-pyrazole-2-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-oxo-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 134846786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).