2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride

C10H16ClN5 — CID 126965380

IUPAC2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2ccn(C)n2)n(C)n1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-8-6-10(15(3)12-8)11-7-9-4-5-14(2)13-9;/h4-6,11H,7H2,1-3H3;1H
InChIKeyFQHTYIWYXRSJAD-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.50
Rot. Bonds3

About 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride

2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126965380) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
PubChem CID126965380
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2ccn(C)n2)n(C)n1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-8-6-10(15(3)12-8)11-7-9-4-5-14(2)13-9;/h4-6,11H,7H2,1-3H3;1H
InChIKeyFQHTYIWYXRSJAD-UHFFFAOYSA-N
XLogP1.50
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride (CID 126965380) is 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride is Cc1cc(NCc2ccn(C)n2)n(C)n1.Cl.
What is the InChIKey of 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is FQHTYIWYXRSJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.ClH/c1-8-6-10(15(3)12-8)11-7-9-4-5-14(2)13-9;/h4-6,11H,7H2,1-3H3;1H.
What are the key properties of 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 241.73 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126965380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).