1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride

C7H11Cl2N5 — CID 163336294

IUPAC1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(-n2cc(N)cn2)cn1
InChIInChI=1S/C7H9N5.2ClH/c1-11-5-7(3-9-11)12-4-6(8)2-10-12;;/h2-5H,8H2,1H3;2*1H
InChIKeyHDMMNRHPQJRMIB-UHFFFAOYSA-N
MW236.11 g/mol
LogP1.03
Rot. Bonds1

About 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride

1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride (PubChem CID 163336294) has the molecular formula C7H11Cl2N5 and a molecular weight of 236.11 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride
PubChem CID163336294
Molecular FormulaC7H11Cl2N5
Molecular Weight236.11 g/mol
Exact Mass235.04
IUPAC Name1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(-n2cc(N)cn2)cn1
InChIInChI=1S/C7H9N5.2ClH/c1-11-5-7(3-9-11)12-4-6(8)2-10-12;;/h2-5H,8H2,1H3;2*1H
InChIKeyHDMMNRHPQJRMIB-UHFFFAOYSA-N
XLogP1.03
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride?
The IUPAC name of 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride (CID 163336294) is 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride is Cl.Cl.Cn1cc(-n2cc(N)cn2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride?
The InChIKey is HDMMNRHPQJRMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5.2ClH/c1-11-5-7(3-9-11)12-4-6(8)2-10-12;;/h2-5H,8H2,1H3;2*1H.
What are the key properties of 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride?
1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride has a molecular weight of 236.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 163336294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).