1-tert-butyl-3-(2-cyclopropylethyl)pyrazole

C12H20N2 — CID 176799964

IUPAC1-tert-butyl-3-(2-cyclopropylethyl)pyrazole
SMILESCC(C)(C)n1ccc(CCC2CC2)n1
InChIInChI=1S/C12H20N2/c1-12(2,3)14-9-8-11(13-14)7-6-10-4-5-10/h8-10H,4-7H2,1-3H3
InChIKeyKZZOYZSHSHUVBX-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.98
Rot. Bonds3

About 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole

1-tert-butyl-3-(2-cyclopropylethyl)pyrazole (PubChem CID 176799964) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-(2-cyclopropylethyl)pyrazole
PubChem CID176799964
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-tert-butyl-3-(2-cyclopropylethyl)pyrazole
SMILESCC(C)(C)n1ccc(CCC2CC2)n1
InChIInChI=1S/C12H20N2/c1-12(2,3)14-9-8-11(13-14)7-6-10-4-5-10/h8-10H,4-7H2,1-3H3
InChIKeyKZZOYZSHSHUVBX-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
CID 141362504
1-tert-butyl-3-methylpyrazole;deuterium monohydride
CID 159926640
1-tert-butyl-3-methoxypyrazole
CID 130223595
3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64777282
1-tert-butyl-3-[3-(1,1-difluoroethyl)cyclopentyl]pyrazole
CID 170651576
4-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 127017249
1-tert-butyl-3-ethenylpyrazole
CID 59860441
2-[1-(2-methylbutan-2-yl)pyrazol-3-yl]acetonitrile
CID 139319997
4-(2-cyclopropylethyl)pyridine
CID 54011262
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
2,6-ditert-butylcyclopenta[c]pyridazine
CID 177123838

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole?
The IUPAC name of 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole (CID 176799964) is 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole?
The canonical SMILES for 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole is CC(C)(C)n1ccc(CCC2CC2)n1.
What is the InChIKey of 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole?
The InChIKey is KZZOYZSHSHUVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,3)14-9-8-11(13-14)7-6-10-4-5-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole?
1-tert-butyl-3-(2-cyclopropylethyl)pyrazole has a molecular weight of 192.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-cyclopropylethyl)pyrazole is sourced from PubChem (CID 176799964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).