4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole

C10H18N2 — CID 155459840

IUPAC4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole
SMILESCC(C)Cc1cn[nH]c1C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)5-9-6-11-12-10(9)8(3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyLHIJEPWZFMPCOL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.73
Rot. Bonds3

About 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole

4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole (PubChem CID 155459840) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole
PubChem CID155459840
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole
SMILESCC(C)Cc1cn[nH]c1C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)5-9-6-11-12-10(9)8(3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyLHIJEPWZFMPCOL-UHFFFAOYSA-N
XLogP2.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 304265
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CID 82414450
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CID 10909742
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole?
The IUPAC name of 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole (CID 155459840) is 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole is CC(C)Cc1cn[nH]c1C(C)C.
What is the InChIKey of 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole?
The InChIKey is LHIJEPWZFMPCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)5-9-6-11-12-10(9)8(3)4/h6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole?
4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 155459840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).