(3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole

C6H10N2 — CID 174074877

IUPAC(3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole
SMILESC=C[C@@H]1NNC=C1C
InChIInChI=1S/C6H10N2/c1-3-6-5(2)4-7-8-6/h3-4,6-8H,1H2,2H3/t6-/m0/s1
InChIKeyHOECBBZRMXKNPN-LURJTMIESA-N
MW110.16 g/mol
LogP0.55
Rot. Bonds1

About (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole

(3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole (PubChem CID 174074877) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name(3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole
PubChem CID174074877
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole
SMILESC=C[C@@H]1NNC=C1C
InChIInChI=1S/C6H10N2/c1-3-6-5(2)4-7-8-6/h3-4,6-8H,1H2,2H3/t6-/m0/s1
InChIKeyHOECBBZRMXKNPN-LURJTMIESA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole (CID 174074877) is (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole is C=C[C@@H]1NNC=C1C.
What is the InChIKey of (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole?
The InChIKey is HOECBBZRMXKNPN-LURJTMIESA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6-5(2)4-7-8-6/h3-4,6-8H,1H2,2H3/t6-/m0/s1.
What are the key properties of (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole?
(3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole has a molecular weight of 110.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 174074877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).