1,3,5-trimethyl-2-propyl-3H-pyrazole

C9H18N2 — CID 86249112

IUPAC1,3,5-trimethyl-2-propyl-3H-pyrazole
SMILESCCCN1C(C)C=C(C)N1C
InChIInChI=1S/C9H18N2/c1-5-6-11-9(3)7-8(2)10(11)4/h7,9H,5-6H2,1-4H3
InChIKeyQDANFPQBHVYTGF-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.85
Rot. Bonds2

About 1,3,5-trimethyl-2-propyl-3H-pyrazole

1,3,5-trimethyl-2-propyl-3H-pyrazole (PubChem CID 86249112) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-propyl-3H-pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-2-propyl-3H-pyrazole
PubChem CID86249112
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,3,5-trimethyl-2-propyl-3H-pyrazole
SMILESCCCN1C(C)C=C(C)N1C
InChIInChI=1S/C9H18N2/c1-5-6-11-9(3)7-8(2)10(11)4/h7,9H,5-6H2,1-4H3
InChIKeyQDANFPQBHVYTGF-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-propyl-3H-pyrazole?
The IUPAC name of 1,3,5-trimethyl-2-propyl-3H-pyrazole (CID 86249112) is 1,3,5-trimethyl-2-propyl-3H-pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-2-propyl-3H-pyrazole?
The canonical SMILES for 1,3,5-trimethyl-2-propyl-3H-pyrazole is CCCN1C(C)C=C(C)N1C.
What is the InChIKey of 1,3,5-trimethyl-2-propyl-3H-pyrazole?
The InChIKey is QDANFPQBHVYTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-11-9(3)7-8(2)10(11)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-propyl-3H-pyrazole?
1,3,5-trimethyl-2-propyl-3H-pyrazole has a molecular weight of 154.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-propyl-3H-pyrazole is sourced from PubChem (CID 86249112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).