methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole

C11H22N2 — CID 159150030

IUPACmethane;4-(2-methylpropyl)-1-propan-2-ylpyrazole
SMILESC.CC(C)Cc1cnn(C(C)C)c1
InChIInChI=1S/C10H18N2.CH4/c1-8(2)5-10-6-11-12(7-10)9(3)4;/h6-9H,5H2,1-4H3;1H4
InChIKeyKJDUQRJKTPYZHV-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.30
Rot. Bonds3

About methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole

methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole (PubChem CID 159150030) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Namemethane;4-(2-methylpropyl)-1-propan-2-ylpyrazole
PubChem CID159150030
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namemethane;4-(2-methylpropyl)-1-propan-2-ylpyrazole
SMILESC.CC(C)Cc1cnn(C(C)C)c1
InChIInChI=1S/C10H18N2.CH4/c1-8(2)5-10-6-11-12(7-10)9(3)4;/h6-9H,5H2,1-4H3;1H4
InChIKeyKJDUQRJKTPYZHV-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole
CID 153444612
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
4-(3-chloropropyl)-1-propan-2-ylpyrazole
CID 62719458
4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
CID 164784593
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338
N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride
CID 122240417
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691236
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 114075416
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994

Frequently Asked Questions

What is the IUPAC name of methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole?
The IUPAC name of methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole (CID 159150030) is methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole?
The canonical SMILES for methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole is C.CC(C)Cc1cnn(C(C)C)c1.
What is the InChIKey of methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole?
The InChIKey is KJDUQRJKTPYZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.CH4/c1-8(2)5-10-6-11-12(7-10)9(3)4;/h6-9H,5H2,1-4H3;1H4.
What are the key properties of methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole?
methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole has a molecular weight of 182.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 159150030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).