4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine

C11H22N4 — CID 114996140

IUPAC4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine
SMILESCC(C)CCCC(C)Nc1cn[nH]c1N
InChIInChI=1S/C11H22N4/c1-8(2)5-4-6-9(3)14-10-7-13-15-11(10)12/h7-9,14H,4-6H2,1-3H3,(H3,12,13,15)
InChIKeyXXBHAADRRABPER-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.62
Rot. Bonds6

About 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine

4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine (PubChem CID 114996140) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine
PubChem CID114996140
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine
SMILESCC(C)CCCC(C)Nc1cn[nH]c1N
InChIInChI=1S/C11H22N4/c1-8(2)5-4-6-9(3)14-10-7-13-15-11(10)12/h7-9,14H,4-6H2,1-3H3,(H3,12,13,15)
InChIKeyXXBHAADRRABPER-UHFFFAOYSA-N
XLogP2.62
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine (CID 114996140) is 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine is CC(C)CCCC(C)Nc1cn[nH]c1N.
What is the InChIKey of 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine?
The InChIKey is XXBHAADRRABPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(2)5-4-6-9(3)14-10-7-13-15-11(10)12/h7-9,14H,4-6H2,1-3H3,(H3,12,13,15).
What are the key properties of 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine?
4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114996140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).