1-heptan-3-ylpyrazole

C10H18N2 — CID 121348512

IUPAC1-heptan-3-ylpyrazole
SMILESCCCCC(CC)n1cccn1
InChIInChI=1S/C10H18N2/c1-3-5-7-10(4-2)12-9-6-8-11-12/h6,8-10H,3-5,7H2,1-2H3
InChIKeyRGBHNRZUDPTANU-UHFFFAOYSA-N
MW166.27 g/mol
LogP3.02
Rot. Bonds5

About 1-heptan-3-ylpyrazole

1-heptan-3-ylpyrazole (PubChem CID 121348512) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-heptan-3-ylpyrazole.

Molecular Properties

Compound Name1-heptan-3-ylpyrazole
PubChem CID121348512
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-heptan-3-ylpyrazole
SMILESCCCCC(CC)n1cccn1
InChIInChI=1S/C10H18N2/c1-3-5-7-10(4-2)12-9-6-8-11-12/h6,8-10H,3-5,7H2,1-2H3
InChIKeyRGBHNRZUDPTANU-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-heptan-3-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hex-5-yn-3-ylpyrazole
CID 141189271
1-nonan-2-ylpyrazole
CID 121348533
ethane;1-heptan-3-yl-4-methylpyrazole
CID 169217888
1-butan-2-ylpyrazole;ethane
CID 170732307
1-heptan-3-ylimidazole;hydrobromide
CID 174803482
(2S)-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]hexanamide
CID 95319251
N,N-dimethyl-1-pyrazol-1-ylpropan-1-amine
CID 173051890
1-pentylpyrazole;propane
CID 156859541
1-(diethoxymethyl)pyrazole
CID 91618471
N-(1-pyrazol-1-ylpropan-2-yl)hexan-2-amine
CID 43791834
1-[di(pyrazol-1-yl)methyl]pyrazole
CID 5243808
2-methylpropane;1-propan-2-ylpyrazole
CID 159283951

Frequently Asked Questions

What is the IUPAC name of 1-heptan-3-ylpyrazole?
The IUPAC name of 1-heptan-3-ylpyrazole (CID 121348512) is 1-heptan-3-ylpyrazole.
What is the SMILES notation for 1-heptan-3-ylpyrazole?
The canonical SMILES for 1-heptan-3-ylpyrazole is CCCCC(CC)n1cccn1.
What is the InChIKey of 1-heptan-3-ylpyrazole?
The InChIKey is RGBHNRZUDPTANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-7-10(4-2)12-9-6-8-11-12/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 1-heptan-3-ylpyrazole?
1-heptan-3-ylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-3-ylpyrazole is sourced from PubChem (CID 121348512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).