5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole

C12H18N4 — CID 86239923

IUPAC5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole
SMILESCCCc1cc(-c2cc(CCC)[nH]n2)n[nH]1
InChIInChI=1S/C12H18N4/c1-3-5-9-7-11(15-13-9)12-8-10(6-4-2)14-16-12/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyAKMSSADHSWZZFN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.70
Rot. Bonds5

About 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole

5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole (PubChem CID 86239923) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole
PubChem CID86239923
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole
SMILESCCCc1cc(-c2cc(CCC)[nH]n2)n[nH]1
InChIInChI=1S/C12H18N4/c1-3-5-9-7-11(15-13-9)12-8-10(6-4-2)14-16-12/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyAKMSSADHSWZZFN-UHFFFAOYSA-N
XLogP2.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole?
The IUPAC name of 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole (CID 86239923) is 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole?
The canonical SMILES for 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole is CCCc1cc(-c2cc(CCC)[nH]n2)n[nH]1.
What is the InChIKey of 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole?
The InChIKey is AKMSSADHSWZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-5-9-7-11(15-13-9)12-8-10(6-4-2)14-16-12/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole?
5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole has a molecular weight of 218.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole is sourced from PubChem (CID 86239923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).