3-deuterio-4,5-dihydro-3H-pyrazole

C3H6N2 — CID 175703380

IUPAC3-deuterio-4,5-dihydro-3H-pyrazole
SMILES[2H]C1CCN=N1
InChIInChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2/i2D
InChIKeyDNXIASIHZYFFRO-VMNATFBRSA-N
MW71.10 g/mol
LogP0.84
Rot. Bonds

About 3-deuterio-4,5-dihydro-3H-pyrazole

3-deuterio-4,5-dihydro-3H-pyrazole (PubChem CID 175703380) has the molecular formula C3H6N2 and a molecular weight of 71.10 g/mol. Its IUPAC name is 3-deuterio-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-deuterio-4,5-dihydro-3H-pyrazole
PubChem CID175703380
Molecular FormulaC3H6N2
Molecular Weight71.10 g/mol
Exact Mass71.06
IUPAC Name3-deuterio-4,5-dihydro-3H-pyrazole
SMILES[2H]C1CCN=N1
InChIInChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2/i2D
InChIKeyDNXIASIHZYFFRO-VMNATFBRSA-N
XLogP0.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.10
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-deuterio-4,5-dihydro-3H-pyrazole (CID 175703380) is 3-deuterio-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-deuterio-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-deuterio-4,5-dihydro-3H-pyrazole is [2H]C1CCN=N1.
What is the InChIKey of 3-deuterio-4,5-dihydro-3H-pyrazole?
The InChIKey is DNXIASIHZYFFRO-VMNATFBRSA-N. The full InChI is InChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2/i2D.
What are the key properties of 3-deuterio-4,5-dihydro-3H-pyrazole?
3-deuterio-4,5-dihydro-3H-pyrazole has a molecular weight of 71.10 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 175703380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).