1-(3-methylbutan-2-yl)pyrazole

C8H14N2 — CID 59320460

IUPAC1-(3-methylbutan-2-yl)pyrazole
SMILESCC(C)C(C)n1cccn1
InChIInChI=1S/C8H14N2/c1-7(2)8(3)10-6-4-5-9-10/h4-8H,1-3H3
InChIKeyNFEPQZXNHGBPQK-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.10
Rot. Bonds2

About 1-(3-methylbutan-2-yl)pyrazole

1-(3-methylbutan-2-yl)pyrazole (PubChem CID 59320460) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)pyrazole
PubChem CID59320460
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(3-methylbutan-2-yl)pyrazole
SMILESCC(C)C(C)n1cccn1
InChIInChI=1S/C8H14N2/c1-7(2)8(3)10-6-4-5-9-10/h4-8H,1-3H3
InChIKeyNFEPQZXNHGBPQK-UHFFFAOYSA-N
XLogP2.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)pyrazole?
The IUPAC name of 1-(3-methylbutan-2-yl)pyrazole (CID 59320460) is 1-(3-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 1-(3-methylbutan-2-yl)pyrazole?
The canonical SMILES for 1-(3-methylbutan-2-yl)pyrazole is CC(C)C(C)n1cccn1.
What is the InChIKey of 1-(3-methylbutan-2-yl)pyrazole?
The InChIKey is NFEPQZXNHGBPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)8(3)10-6-4-5-9-10/h4-8H,1-3H3.
What are the key properties of 1-(3-methylbutan-2-yl)pyrazole?
1-(3-methylbutan-2-yl)pyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 59320460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).