1,4-dipentylpyrazole

C13H24N2 — CID 70562897

IUPAC1,4-dipentylpyrazole
SMILESCCCCCc1cnn(CCCCC)c1
InChIInChI=1S/C13H24N2/c1-3-5-7-9-13-11-14-15(12-13)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyAJIFSUBMNHWOQD-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.81
Rot. Bonds8

About 1,4-dipentylpyrazole

1,4-dipentylpyrazole (PubChem CID 70562897) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1,4-dipentylpyrazole.

Molecular Properties

Compound Name1,4-dipentylpyrazole
PubChem CID70562897
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1,4-dipentylpyrazole
SMILESCCCCCc1cnn(CCCCC)c1
InChIInChI=1S/C13H24N2/c1-3-5-7-9-13-11-14-15(12-13)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyAJIFSUBMNHWOQD-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-butylpyrazol-4-yl)propanoic acid
CID 122240441
1-(1-pentylpyrazol-4-yl)butan-2-amine
CID 62731678
N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
1-pentyl-4-(trifluoromethyl)pyrazole
CID 173052071
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
CID 104567009
(1-propylpyrazol-4-yl)methanethiol
CID 103573669
4-(1-chloropropyl)-1-dodecylpyrazole
CID 63512488
4-(3-bromopentyl)-1-propylpyrazole
CID 64508753
1-decylpyrazole-4-sulfonamide
CID 81340467
1-octylpyrazole-4-sulfonyl chloride
CID 60912236

Frequently Asked Questions

What is the IUPAC name of 1,4-dipentylpyrazole?
The IUPAC name of 1,4-dipentylpyrazole (CID 70562897) is 1,4-dipentylpyrazole.
What is the SMILES notation for 1,4-dipentylpyrazole?
The canonical SMILES for 1,4-dipentylpyrazole is CCCCCc1cnn(CCCCC)c1.
What is the InChIKey of 1,4-dipentylpyrazole?
The InChIKey is AJIFSUBMNHWOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-7-9-13-11-14-15(12-13)10-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,4-dipentylpyrazole?
1,4-dipentylpyrazole has a molecular weight of 208.35 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipentylpyrazole is sourced from PubChem (CID 70562897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).