1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine

C10H20N4 — CID 66017780

IUPAC1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
SMILESCC(C)Nc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C10H20N4/c1-6(2)9-8(11)10(12-7(3)4)14(5)13-9/h6-7,12H,11H2,1-5H3
InChIKeyGGTYGRCUURNKBK-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.95
Rot. Bonds3

About 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine

1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine (PubChem CID 66017780) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
PubChem CID66017780
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
SMILESCC(C)Nc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C10H20N4/c1-6(2)9-8(11)10(12-7(3)4)14(5)13-9/h6-7,12H,11H2,1-5H3
InChIKeyGGTYGRCUURNKBK-UHFFFAOYSA-N
XLogP1.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine (CID 66017780) is 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine is CC(C)Nc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine?
The InChIKey is GGTYGRCUURNKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-6(2)9-8(11)10(12-7(3)4)14(5)13-9/h6-7,12H,11H2,1-5H3.
What are the key properties of 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine?
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine has a molecular weight of 196.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 66017780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).