4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride

C11H12Cl2N6 — CID 90481352

IUPAC4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride
SMILESCl.Cn1cc(-c2n[nH]c(-c3cnn(C)c3)c2Cl)cn1
InChIInChI=1S/C11H11ClN6.ClH/c1-17-5-7(3-13-17)10-9(12)11(16-15-10)8-4-14-18(2)6-8;/h3-6H,1-2H3,(H,15,16);1H
InChIKeyXEVOIUQBHFZZNS-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.29
Rot. Bonds2

About 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride

4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride (PubChem CID 90481352) has the molecular formula C11H12Cl2N6 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride
PubChem CID90481352
Molecular FormulaC11H12Cl2N6
Molecular Weight299.17 g/mol
Exact Mass298.05
IUPAC Name4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride
SMILESCl.Cn1cc(-c2n[nH]c(-c3cnn(C)c3)c2Cl)cn1
InChIInChI=1S/C11H11ClN6.ClH/c1-17-5-7(3-13-17)10-9(12)11(16-15-10)8-4-14-18(2)6-8;/h3-6H,1-2H3,(H,15,16);1H
InChIKeyXEVOIUQBHFZZNS-UHFFFAOYSA-N
XLogP2.29
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride?
The IUPAC name of 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride (CID 90481352) is 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride.
What is the SMILES notation for 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride?
The canonical SMILES for 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride is Cl.Cn1cc(-c2n[nH]c(-c3cnn(C)c3)c2Cl)cn1.
What is the InChIKey of 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride?
The InChIKey is XEVOIUQBHFZZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6.ClH/c1-17-5-7(3-13-17)10-9(12)11(16-15-10)8-4-14-18(2)6-8;/h3-6H,1-2H3,(H,15,16);1H.
What are the key properties of 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride?
4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride has a molecular weight of 299.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 90481352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).