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

C10H16ClN5 — CID 126963966

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)cc1CNc1cnn(C)c1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-8-9(6-15(3)13-8)4-11-10-5-12-14(2)7-10;/h5-7,11H,4H2,1-3H3;1H
InChIKeyXMOIUOGJJYDVGA-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.50
Rot. Bonds3

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride (PubChem CID 126963966) 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-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
PubChem CID126963966
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)cc1CNc1cnn(C)c1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-8-9(6-15(3)13-8)4-11-10-5-12-14(2)7-10;/h5-7,11H,4H2,1-3H3;1H
InChIKeyXMOIUOGJJYDVGA-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-4-amine;hydrochloride?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride (CID 126963966) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride is Cc1nn(C)cc1CNc1cnn(C)c1.Cl.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride?
The InChIKey is XMOIUOGJJYDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.ClH/c1-8-9(6-15(3)13-8)4-11-10-5-12-14(2)7-10;/h5-7,11H,4H2,1-3H3;1H.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-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-4-amine;hydrochloride is sourced from PubChem (CID 126963966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).