1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride

C8H13Cl2N5 — CID 90484274

IUPAC1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride
SMILESCc1cnn(Cn2cc(N)cn2)c1.Cl.Cl
InChIInChI=1S/C8H11N5.2ClH/c1-7-2-10-12(4-7)6-13-5-8(9)3-11-13;;/h2-5H,6,9H2,1H3;2*1H
InChIKeyJDWVVSKRTOCOES-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.32
Rot. Bonds2

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

1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride (PubChem CID 90484274) has the molecular formula C8H13Cl2N5 and a molecular weight of 250.13 g/mol. Its IUPAC name is 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride
PubChem CID90484274
Molecular FormulaC8H13Cl2N5
Molecular Weight250.13 g/mol
Exact Mass249.05
IUPAC Name1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride
SMILESCc1cnn(Cn2cc(N)cn2)c1.Cl.Cl
InChIInChI=1S/C8H11N5.2ClH/c1-7-2-10-12(4-7)6-13-5-8(9)3-11-13;;/h2-5H,6,9H2,1H3;2*1H
InChIKeyJDWVVSKRTOCOES-UHFFFAOYSA-N
XLogP1.32
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride?
The IUPAC name of 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride (CID 90484274) is 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride is Cc1cnn(Cn2cc(N)cn2)c1.Cl.Cl.
What is the InChIKey of 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride?
The InChIKey is JDWVVSKRTOCOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5.2ClH/c1-7-2-10-12(4-7)6-13-5-8(9)3-11-13;;/h2-5H,6,9H2,1H3;2*1H.
What are the key properties of 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride?
1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride has a molecular weight of 250.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 90484274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).