1-[dideuterio(pyrazol-1-yl)methyl]pyrazole

C7H8N4 — CID 131845717

IUPAC1-[dideuterio(pyrazol-1-yl)methyl]pyrazole
SMILES[2H]C([2H])(n1cccn1)n1cccn1
InChIInChI=1S/C7H8N4/c1-3-8-10(5-1)7-11-6-2-4-9-11/h1-6H,7H2/i7D2
InChIKeyWWNSYPVRCNOFJV-RJSZUWSASA-N
MW150.18 g/mol
LogP0.59
Rot. Bonds2

About 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole

1-[dideuterio(pyrazol-1-yl)methyl]pyrazole (PubChem CID 131845717) has the molecular formula C7H8N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-[dideuterio(pyrazol-1-yl)methyl]pyrazole
PubChem CID131845717
Molecular FormulaC7H8N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name1-[dideuterio(pyrazol-1-yl)methyl]pyrazole
SMILES[2H]C([2H])(n1cccn1)n1cccn1
InChIInChI=1S/C7H8N4/c1-3-8-10(5-1)7-11-6-2-4-9-11/h1-6H,7H2/i7D2
InChIKeyWWNSYPVRCNOFJV-RJSZUWSASA-N
XLogP0.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylpyrazole;propane
CID 142296683
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
1-[(pyrazol-1-ylmethyldisulfanyl)methyl]pyrazole
CID 87477588
1-pentylpyrazole;propane
CID 156859541
1-(4-fluorobutyl)pyrazole
CID 89149244
4-pyrazol-1-ylbutan-1-ol
CID 43509832
1-(3-bromopropyl)pyrazole;hydrobromide
CID 155944004
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
1-(4,4,4-trifluorobutyl)pyrazole
CID 115518539
1-(3-ethylsulfanylpropyl)pyrazole
CID 115651086

Frequently Asked Questions

What is the IUPAC name of 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole (CID 131845717) is 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole is [2H]C([2H])(n1cccn1)n1cccn1.
What is the InChIKey of 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole?
The InChIKey is WWNSYPVRCNOFJV-RJSZUWSASA-N. The full InChI is InChI=1S/C7H8N4/c1-3-8-10(5-1)7-11-6-2-4-9-11/h1-6H,7H2/i7D2.
What are the key properties of 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole?
1-[dideuterio(pyrazol-1-yl)methyl]pyrazole has a molecular weight of 150.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dideuterio(pyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 131845717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).