6-acetamido-N-(1H-pyrazol-4-yl)hexanamide

C11H18N4O2 — CID 43430765

IUPAC6-acetamido-N-(1H-pyrazol-4-yl)hexanamide
SMILESCC(=O)NCCCCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H18N4O2/c1-9(16)12-6-4-2-3-5-11(17)15-10-7-13-14-8-10/h7-8H,2-6H2,1H3,(H,12,16)(H,13,14)(H,15,17)
InChIKeyZEFPYIPMPOTHCN-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.04
Rot. Bonds7

About 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide

6-acetamido-N-(1H-pyrazol-4-yl)hexanamide (PubChem CID 43430765) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(1H-pyrazol-4-yl)hexanamide
PubChem CID43430765
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-acetamido-N-(1H-pyrazol-4-yl)hexanamide
SMILESCC(=O)NCCCCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H18N4O2/c1-9(16)12-6-4-2-3-5-11(17)15-10-7-13-14-8-10/h7-8H,2-6H2,1H3,(H,12,16)(H,13,14)(H,15,17)
InChIKeyZEFPYIPMPOTHCN-UHFFFAOYSA-N
XLogP1.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
N-methyl-2-[4-(1H-pyrazol-4-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 53503350
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
CID 95628337
2-[cyclopropyl(ethyl)amino]-N-(1H-pyrazol-4-yl)acetamide
CID 136517020
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 127000229
1-fluoro-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 130616395
2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide
CID 154759950

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide?
The IUPAC name of 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide (CID 43430765) is 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide?
The canonical SMILES for 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide is CC(=O)NCCCCCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide?
The InChIKey is ZEFPYIPMPOTHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9(16)12-6-4-2-3-5-11(17)15-10-7-13-14-8-10/h7-8H,2-6H2,1H3,(H,12,16)(H,13,14)(H,15,17).
What are the key properties of 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide?
6-acetamido-N-(1H-pyrazol-4-yl)hexanamide has a molecular weight of 238.29 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(1H-pyrazol-4-yl)hexanamide is sourced from PubChem (CID 43430765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).