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

C12H20ClN5 — CID 126967946

IUPAC1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2ccnn2C(C)C)nn1C.Cl
InChIInChI=1S/C12H19N5.ClH/c1-9(2)17-11(5-6-14-17)8-13-12-7-10(3)16(4)15-12;/h5-7,9H,8H2,1-4H3,(H,13,15);1H
InChIKeyOYGCAGOEMMHERG-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.54
Rot. Bonds4

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

1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126967946) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
PubChem CID126967946
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2ccnn2C(C)C)nn1C.Cl
InChIInChI=1S/C12H19N5.ClH/c1-9(2)17-11(5-6-14-17)8-13-12-7-10(3)16(4)15-12;/h5-7,9H,8H2,1-4H3,(H,13,15);1H
InChIKeyOYGCAGOEMMHERG-UHFFFAOYSA-N
XLogP2.54
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122167277
1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122167062
2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122167078
3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126968235
1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167521
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126966257
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122166863
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
CID 19627587
1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371
N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115876966

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride (CID 126967946) is 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride is Cc1cc(NCc2ccnn2C(C)C)nn1C.Cl.
What is the InChIKey of 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is OYGCAGOEMMHERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.ClH/c1-9(2)17-11(5-6-14-17)8-13-12-7-10(3)16(4)15-12;/h5-7,9H,8H2,1-4H3,(H,13,15);1H.
What are the key properties of 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126967946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).