5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole

C10H16N2 — CID 118259104

IUPAC5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H16N2/c1-7(2)8-6-9(12-11-8)10(3,4)5/h6H,1H2,2-5H3,(H,11,12)
InChIKeyAVCQXXITAPHYTG-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.74
Rot. Bonds1

About 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole

5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole (PubChem CID 118259104) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole
PubChem CID118259104
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H16N2/c1-7(2)8-6-9(12-11-8)10(3,4)5/h6H,1H2,2-5H3,(H,11,12)
InChIKeyAVCQXXITAPHYTG-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 110835219
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
(5-tert-butyl-1H-pyrazol-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 166216883
N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 175943351
5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110848665
5-tert-butyl-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5405278
copper(1+);bis(3,5-ditert-butyl-1H-pyrazole);chlorate
CID 139150968
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 110833128
(2S)-2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110835220
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 82110660
5-tert-butyl-3-methylsulfanyl-1H-pyrazole
CID 2805744

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole?
The IUPAC name of 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole (CID 118259104) is 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole.
What is the SMILES notation for 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole?
The canonical SMILES for 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole is C=C(C)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole?
The InChIKey is AVCQXXITAPHYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8-6-9(12-11-8)10(3,4)5/h6H,1H2,2-5H3,(H,11,12).
What are the key properties of 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole?
5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole is sourced from PubChem (CID 118259104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).