5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole

C11H20N2 — CID 178050223

IUPAC5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)nn1CC(C)C
InChIInChI=1S/C11H20N2/c1-8(2)7-13-10(5)6-11(12-13)9(3)4/h6,8-9H,7H2,1-5H3
InChIKeyLRVPSCPUWJOVIG-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.97
Rot. Bonds3

About 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole

5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole (PubChem CID 178050223) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole
PubChem CID178050223
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)nn1CC(C)C
InChIInChI=1S/C11H20N2/c1-8(2)7-13-10(5)6-11(12-13)9(3)4/h6,8-9H,7H2,1-5H3
InChIKeyLRVPSCPUWJOVIG-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
CID 178165955
ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
CID 169218141
5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 66021366
5-methyl-N,1-bis(2-methylpropyl)pyrazol-3-amine;hydrochloride
CID 126965647
5-methyl-3-propan-2-yl-1-[2-(1H-pyrazol-5-yl)propyl]pyrazole
CID 170347021
3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile
CID 176666058
5-methyl-N-(3-methylbutyl)-1-(2-methylpropyl)pyrazol-3-amine;hydrochloride
CID 126967121
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
4-(bromomethyl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443355
N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
CID 122168926
4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443362
2-[[[5-methyl-1-(2-methylpropyl)pyrazol-3-yl]amino]methyl]phenol;hydrochloride
CID 126965295

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole?
The IUPAC name of 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole (CID 178050223) is 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole is Cc1cc(C(C)C)nn1CC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole?
The InChIKey is LRVPSCPUWJOVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)7-13-10(5)6-11(12-13)9(3)4/h6,8-9H,7H2,1-5H3.
What are the key properties of 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole?
5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole has a molecular weight of 180.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 178050223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).