1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole

C9H16N2 — CID 170411970

IUPAC1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole
SMILESC[C@@H](n1cccn1)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-8(9(2,3)4)11-7-5-6-10-11/h5-8H,1-4H3/t8-/m1/s1
InChIKeyPLAARBNFJSICJN-MRVPVSSYSA-N
MW152.24 g/mol
LogP2.49
Rot. Bonds1

About 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole

1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole (PubChem CID 170411970) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole.

Molecular Properties

Compound Name1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole
PubChem CID170411970
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole
SMILESC[C@@H](n1cccn1)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-8(9(2,3)4)11-7-5-6-10-11/h5-8H,1-4H3/t8-/m1/s1
InChIKeyPLAARBNFJSICJN-MRVPVSSYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutan-2-yl)pyrazole
CID 59320460
1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole
CID 54377020
2-methylpropane;1-propan-2-ylpyrazole
CID 159283951
2-methyl-1-pyrazol-1-ylpropan-1-ol
CID 70596734
ethane;2-methylpropane;1-propan-2-ylpyrazole
CID 158347512
1-[di(pyrazol-1-yl)methyl]pyrazole
CID 5243808
1-(2-methyl-1-nitrosopropyl)pyrazole
CID 54424052
1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride
CID 70567368
1-butan-2-ylpyrazole;ethane
CID 170732307
4,4-dimethyl-3-pyrazol-1-ylpentanoic acid
CID 166660871
1-(1-cyclopropylethyl)pyrazole
CID 61272490
(2S)-2-pyrazol-1-ylpropanamide
CID 42576360

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole?
The IUPAC name of 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole (CID 170411970) is 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole.
What is the SMILES notation for 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole?
The canonical SMILES for 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole is C[C@@H](n1cccn1)C(C)(C)C.
What is the InChIKey of 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole?
The InChIKey is PLAARBNFJSICJN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(9(2,3)4)11-7-5-6-10-11/h5-8H,1-4H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole?
1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole is sourced from PubChem (CID 170411970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).