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

C6H10N4 — CID 172756227

IUPAC4,5-dihydro-3H-pyrazole;4H-pyrazole
SMILESC1=NN=CC1.C1CN=NC1
InChIInChI=1S/C3H6N2.C3H4N2/c2*1-2-4-5-3-1/h1-3H2;2-3H,1H2
InChIKeyLBDRLCVKKCIMDX-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds

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

4,5-dihydro-3H-pyrazole;4H-pyrazole (PubChem CID 172756227) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4,5-dihydro-3H-pyrazole;4H-pyrazole.

Molecular Properties

Compound Name4,5-dihydro-3H-pyrazole;4H-pyrazole
PubChem CID172756227
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name4,5-dihydro-3H-pyrazole;4H-pyrazole
SMILESC1=NN=CC1.C1CN=NC1
InChIInChI=1S/C3H6N2.C3H4N2/c2*1-2-4-5-3-1/h1-3H2;2-3H,1H2
InChIKeyLBDRLCVKKCIMDX-UHFFFAOYSA-N
XLogP1.29
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Bis-diazo-pentan
CID 129890118
CID 91501490
CID 91501490
Diazomethane;1-diazopropane
CID 140337081
(E)-bis(3,4-dihydropyrazol-2-yl)diazene
CID 140546011
Bis(3,4-dihydropyrazol-2-yl)diazene
CID 176218547

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-pyrazole;4H-pyrazole?
The IUPAC name of 4,5-dihydro-3H-pyrazole;4H-pyrazole (CID 172756227) is 4,5-dihydro-3H-pyrazole;4H-pyrazole.
What is the SMILES notation for 4,5-dihydro-3H-pyrazole;4H-pyrazole?
The canonical SMILES for 4,5-dihydro-3H-pyrazole;4H-pyrazole is C1=NN=CC1.C1CN=NC1.
What is the InChIKey of 4,5-dihydro-3H-pyrazole;4H-pyrazole?
The InChIKey is LBDRLCVKKCIMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.C3H4N2/c2*1-2-4-5-3-1/h1-3H2;2-3H,1H2.
What are the key properties of 4,5-dihydro-3H-pyrazole;4H-pyrazole?
4,5-dihydro-3H-pyrazole;4H-pyrazole has a molecular weight of 138.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-pyrazole;4H-pyrazole is sourced from PubChem (CID 172756227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).