4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole

C10H16N2 — CID 156744257

IUPAC4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole
SMILESC=C(CC)c1cn[nH]c1C(C)C
InChIInChI=1S/C10H16N2/c1-5-8(4)9-6-11-12-10(9)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyFVKKEZWHSYOUCD-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.96
Rot. Bonds3

About 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole

4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole (PubChem CID 156744257) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole
PubChem CID156744257
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole
SMILESC=C(CC)c1cn[nH]c1C(C)C
InChIInChI=1S/C10H16N2/c1-5-8(4)9-6-11-12-10(9)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyFVKKEZWHSYOUCD-UHFFFAOYSA-N
XLogP2.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole?
The IUPAC name of 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole (CID 156744257) is 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole is C=C(CC)c1cn[nH]c1C(C)C.
What is the InChIKey of 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole?
The InChIKey is FVKKEZWHSYOUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-8(4)9-6-11-12-10(9)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole?
4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 156744257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).