1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine

C12H19N5 — CID 75434829

IUPAC1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCC(C)Cn1cc(NCc2cnn(C)c2)cn1
InChIInChI=1S/C12H19N5/c1-10(2)7-17-9-12(6-15-17)13-4-11-5-14-16(3)8-11/h5-6,8-10,13H,4,7H2,1-3H3
InChIKeyJGSWEQXBHFGLOS-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.88
Rot. Bonds5

About 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine

1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 75434829) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
PubChem CID75434829
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCC(C)Cn1cc(NCc2cnn(C)c2)cn1
InChIInChI=1S/C12H19N5/c1-10(2)7-17-9-12(6-15-17)13-4-11-5-14-16(3)8-11/h5-6,8-10,13H,4,7H2,1-3H3
InChIKeyJGSWEQXBHFGLOS-UHFFFAOYSA-N
XLogP1.88
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine (CID 75434829) is 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine is CC(C)Cn1cc(NCc2cnn(C)c2)cn1.
What is the InChIKey of 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is JGSWEQXBHFGLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10(2)7-17-9-12(6-15-17)13-4-11-5-14-16(3)8-11/h5-6,8-10,13H,4,7H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine?
1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 75434829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).