5-tert-butyl-4-cyclopropyl-1H-pyrazole

C10H16N2 — CID 137491744

IUPAC5-tert-butyl-4-cyclopropyl-1H-pyrazole
SMILESCC(C)(C)c1[nH]ncc1C1CC1
InChIInChI=1S/C10H16N2/c1-10(2,3)9-8(6-11-12-9)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyHCICOJKSVOIGPM-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.58
Rot. Bonds1

About 5-tert-butyl-4-cyclopropyl-1H-pyrazole

5-tert-butyl-4-cyclopropyl-1H-pyrazole (PubChem CID 137491744) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-tert-butyl-4-cyclopropyl-1H-pyrazole.

Molecular Properties

Compound Name5-tert-butyl-4-cyclopropyl-1H-pyrazole
PubChem CID137491744
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-tert-butyl-4-cyclopropyl-1H-pyrazole
SMILESCC(C)(C)c1[nH]ncc1C1CC1
InChIInChI=1S/C10H16N2/c1-10(2,3)9-8(6-11-12-9)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyHCICOJKSVOIGPM-UHFFFAOYSA-N
XLogP2.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-cyclopropyl-1H-pyrazole?
The IUPAC name of 5-tert-butyl-4-cyclopropyl-1H-pyrazole (CID 137491744) is 5-tert-butyl-4-cyclopropyl-1H-pyrazole.
What is the SMILES notation for 5-tert-butyl-4-cyclopropyl-1H-pyrazole?
The canonical SMILES for 5-tert-butyl-4-cyclopropyl-1H-pyrazole is CC(C)(C)c1[nH]ncc1C1CC1.
What is the InChIKey of 5-tert-butyl-4-cyclopropyl-1H-pyrazole?
The InChIKey is HCICOJKSVOIGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2,3)9-8(6-11-12-9)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 5-tert-butyl-4-cyclopropyl-1H-pyrazole?
5-tert-butyl-4-cyclopropyl-1H-pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-cyclopropyl-1H-pyrazole is sourced from PubChem (CID 137491744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).