1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride

C10H12Cl2N6OTi — CID 10980975

IUPAC1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride
SMILESCl.Cl.O=[Ti].c1cnn(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C10H10N6.2ClH.O.Ti/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;;/h1-10H;2*1H;;
InChIKeyMBIPUDIKLANEFR-UHFFFAOYSA-N
MW351.02 g/mol
LogP1.55
Rot. Bonds3

About 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride

1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride (PubChem CID 10980975) has the molecular formula C10H12Cl2N6OTi and a molecular weight of 351.02 g/mol. Its IUPAC name is 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride.

Molecular Properties

Compound Name1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride
PubChem CID10980975
Molecular FormulaC10H12Cl2N6OTi
Molecular Weight351.02 g/mol
Exact Mass349.99
IUPAC Name1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride
SMILESCl.Cl.O=[Ti].c1cnn(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C10H10N6.2ClH.O.Ti/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;;/h1-10H;2*1H;;
InChIKeyMBIPUDIKLANEFR-UHFFFAOYSA-N
XLogP1.55
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.02
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride?
The IUPAC name of 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride (CID 10980975) is 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride.
What is the SMILES notation for 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride?
The canonical SMILES for 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride is Cl.Cl.O=[Ti].c1cnn(C(n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride?
The InChIKey is MBIPUDIKLANEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6.2ClH.O.Ti/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;;/h1-10H;2*1H;;.
What are the key properties of 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride?
1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride has a molecular weight of 351.02 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride is sourced from PubChem (CID 10980975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).