2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine

C12H24N4 — CID 21187128

IUPAC2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine
SMILESCc1[nH]nc(C(C)(C)CN)c1C(C)(C)CN
InChIInChI=1S/C12H24N4/c1-8-9(11(2,3)6-13)10(16-15-8)12(4,5)7-14/h6-7,13-14H2,1-5H3,(H,15,16)
InChIKeyLRCYQPJXJZBQQD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.19
Rot. Bonds4

About 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine

2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine (PubChem CID 21187128) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine
PubChem CID21187128
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine
SMILESCc1[nH]nc(C(C)(C)CN)c1C(C)(C)CN
InChIInChI=1S/C12H24N4/c1-8-9(11(2,3)6-13)10(16-15-8)12(4,5)7-14/h6-7,13-14H2,1-5H3,(H,15,16)
InChIKeyLRCYQPJXJZBQQD-UHFFFAOYSA-N
XLogP1.19
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine (CID 21187128) is 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine is Cc1[nH]nc(C(C)(C)CN)c1C(C)(C)CN.
What is the InChIKey of 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is LRCYQPJXJZBQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-8-9(11(2,3)6-13)10(16-15-8)12(4,5)7-14/h6-7,13-14H2,1-5H3,(H,15,16).
What are the key properties of 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine?
2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 21187128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).