3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine

C13H24N4 — CID 66029174

IUPAC3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NC1(C)CCCC1
InChIInChI=1S/C13H24N4/c1-4-9-17-12(11(14)10(2)16-17)15-13(3)7-5-6-8-13/h15H,4-9,14H2,1-3H3
InChIKeyMDAXWYGHWNGEML-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.93
Rot. Bonds4

About 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine

3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine (PubChem CID 66029174) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine
PubChem CID66029174
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NC1(C)CCCC1
InChIInChI=1S/C13H24N4/c1-4-9-17-12(11(14)10(2)16-17)15-13(3)7-5-6-8-13/h15H,4-9,14H2,1-3H3
InChIKeyMDAXWYGHWNGEML-UHFFFAOYSA-N
XLogP2.93
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine (CID 66029174) is 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NC1(C)CCCC1.
What is the InChIKey of 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine?
The InChIKey is MDAXWYGHWNGEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-9-17-12(11(14)10(2)16-17)15-13(3)7-5-6-8-13/h15H,4-9,14H2,1-3H3.
What are the key properties of 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine?
3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66029174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).