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

C9H16N2 — CID 10844578

IUPAC4-ethyl-5-(2-methylpropyl)-1H-pyrazole
SMILESCCc1cn[nH]c1CC(C)C
InChIInChI=1S/C9H16N2/c1-4-8-6-10-11-9(8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyLHKUTDKSERITCO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.17
Rot. Bonds3

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

4-ethyl-5-(2-methylpropyl)-1H-pyrazole (PubChem CID 10844578) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-ethyl-5-(2-methylpropyl)-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-(2-methylpropyl)-1H-pyrazole
PubChem CID10844578
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-ethyl-5-(2-methylpropyl)-1H-pyrazole
SMILESCCc1cn[nH]c1CC(C)C
InChIInChI=1S/C9H16N2/c1-4-8-6-10-11-9(8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyLHKUTDKSERITCO-UHFFFAOYSA-N
XLogP2.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-methylpropyl)-1H-pyrazole?
The IUPAC name of 4-ethyl-5-(2-methylpropyl)-1H-pyrazole (CID 10844578) is 4-ethyl-5-(2-methylpropyl)-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-(2-methylpropyl)-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-(2-methylpropyl)-1H-pyrazole is CCc1cn[nH]c1CC(C)C.
What is the InChIKey of 4-ethyl-5-(2-methylpropyl)-1H-pyrazole?
The InChIKey is LHKUTDKSERITCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8-6-10-11-9(8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 4-ethyl-5-(2-methylpropyl)-1H-pyrazole?
4-ethyl-5-(2-methylpropyl)-1H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-methylpropyl)-1H-pyrazole is sourced from PubChem (CID 10844578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).