4-methyl-5-(2-methylpropyl)-1H-pyrazole

C8H14N2 — CID 3805989

IUPAC4-methyl-5-(2-methylpropyl)-1H-pyrazole
SMILESCc1cn[nH]c1CC(C)C
InChIInChI=1S/C8H14N2/c1-6(2)4-8-7(3)5-9-10-8/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyREXXQPFBGPPYBI-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.92
Rot. Bonds2

About 4-methyl-5-(2-methylpropyl)-1H-pyrazole

4-methyl-5-(2-methylpropyl)-1H-pyrazole (PubChem CID 3805989) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-1H-pyrazole
PubChem CID3805989
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-methyl-5-(2-methylpropyl)-1H-pyrazole
SMILESCc1cn[nH]c1CC(C)C
InChIInChI=1S/C8H14N2/c1-6(2)4-8-7(3)5-9-10-8/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyREXXQPFBGPPYBI-UHFFFAOYSA-N
XLogP1.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine
CID 82416782
N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine
CID 105439777
5-(ethoxymethyl)-4-methyl-1H-pyrazole
CID 166123228
4-methyl-5-(2-methylpropoxy)-1H-pyrazole
CID 121252026
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine
CID 131219708
4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole
CID 155459840
5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 82089342
3-[5-(2-methylpropyl)-1H-pyrazol-4-yl]propanimidamide
CID 121212971
1-(4-methyl-1H-pyrazol-5-yl)ethanamine
CID 82593631
1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride
CID 170893702
N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine
CID 156578680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-1H-pyrazole?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-1H-pyrazole (CID 3805989) is 4-methyl-5-(2-methylpropyl)-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-1H-pyrazole?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-1H-pyrazole is Cc1cn[nH]c1CC(C)C.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-1H-pyrazole?
The InChIKey is REXXQPFBGPPYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)4-8-7(3)5-9-10-8/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of 4-methyl-5-(2-methylpropyl)-1H-pyrazole?
4-methyl-5-(2-methylpropyl)-1H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-1H-pyrazole is sourced from PubChem (CID 3805989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).