4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine

C9H16N4 — CID 82236292

IUPAC4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
SMILESCC(C1CC1)N(C)c1cn[nH]c1N
InChIInChI=1S/C9H16N4/c1-6(7-3-4-7)13(2)8-5-11-12-9(8)10/h5-7H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyJDJMPIZYPBLXNQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.23
Rot. Bonds3

About 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine

4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine (PubChem CID 82236292) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
PubChem CID82236292
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
SMILESCC(C1CC1)N(C)c1cn[nH]c1N
InChIInChI=1S/C9H16N4/c1-6(7-3-4-7)13(2)8-5-11-12-9(8)10/h5-7H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyJDJMPIZYPBLXNQ-UHFFFAOYSA-N
XLogP1.23
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine (CID 82236292) is 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine is CC(C1CC1)N(C)c1cn[nH]c1N.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine?
The InChIKey is JDJMPIZYPBLXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(7-3-4-7)13(2)8-5-11-12-9(8)10/h5-7H,3-4H2,1-2H3,(H3,10,11,12).
What are the key properties of 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine?
4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).