N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride

C10H16ClN5 — CID 126963985

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
SMILESCc1nn(C)cc1CNc1ccn(C)n1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-8-9(7-15(3)12-8)6-11-10-4-5-14(2)13-10;/h4-5,7H,6H2,1-3H3,(H,11,13);1H
InChIKeyUJAYCNRDQCAUEX-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.50
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride (PubChem CID 126963985) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
PubChem CID126963985
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
SMILESCc1nn(C)cc1CNc1ccn(C)n1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-8-9(7-15(3)12-8)6-11-10-4-5-14(2)13-10;/h4-5,7H,6H2,1-3H3,(H,11,13);1H
InChIKeyUJAYCNRDQCAUEX-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 N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride (CID 126963985) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride is Cc1nn(C)cc1CNc1ccn(C)n1.Cl.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride?
The InChIKey is UJAYCNRDQCAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.ClH/c1-8-9(7-15(3)12-8)6-11-10-4-5-14(2)13-10;/h4-5,7H,6H2,1-3H3,(H,11,13);1H.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-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 N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126963985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).