3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole

C7H14N2 — CID 129276221

IUPAC3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole
SMILESCC(C)CC1C=CNN1
InChIInChI=1S/C7H14N2/c1-6(2)5-7-3-4-8-9-7/h3-4,6-9H,5H2,1-2H3
InChIKeyFVEVTCRXCBBHPR-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.02
Rot. Bonds2

About 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole

3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole (PubChem CID 129276221) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole
PubChem CID129276221
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole
SMILESCC(C)CC1C=CNN1
InChIInChI=1S/C7H14N2/c1-6(2)5-7-3-4-8-9-7/h3-4,6-9H,5H2,1-2H3
InChIKeyFVEVTCRXCBBHPR-UHFFFAOYSA-N
XLogP1.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole (CID 129276221) is 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole is CC(C)CC1C=CNN1.
What is the InChIKey of 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole?
The InChIKey is FVEVTCRXCBBHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)5-7-3-4-8-9-7/h3-4,6-9H,5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole?
3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 129276221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).