1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole

C11H16N2 — CID 170635487

IUPAC1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole
SMILESC=C(c1cnn(C2CC2)c1)C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)9(3)10-6-12-13(7-10)11-4-5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyYSIIXBKLYZAKNP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.89
Rot. Bonds3

About 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole

1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole (PubChem CID 170635487) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole
PubChem CID170635487
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole
SMILESC=C(c1cnn(C2CC2)c1)C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)9(3)10-6-12-13(7-10)11-4-5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyYSIIXBKLYZAKNP-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole?
The IUPAC name of 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole (CID 170635487) is 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole.
What is the SMILES notation for 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole?
The canonical SMILES for 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole is C=C(c1cnn(C2CC2)c1)C(C)C.
What is the InChIKey of 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole?
The InChIKey is YSIIXBKLYZAKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9(3)10-6-12-13(7-10)11-4-5-11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole?
1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole has a molecular weight of 176.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-methylbut-1-en-2-yl)pyrazole is sourced from PubChem (CID 170635487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).