1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine

C13H24N4O — CID 66018882

IUPAC1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCC2CCCO2)c1N
InChIInChI=1S/C13H24N4O/c1-3-5-11-12(14)13(17(2)16-11)15-8-7-10-6-4-9-18-10/h10,15H,3-9,14H2,1-2H3
InChIKeyULCKEHCXUWSSEC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds6

About 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine

1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine (PubChem CID 66018882) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
PubChem CID66018882
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCC2CCCO2)c1N
InChIInChI=1S/C13H24N4O/c1-3-5-11-12(14)13(17(2)16-11)15-8-7-10-6-4-9-18-10/h10,15H,3-9,14H2,1-2H3
InChIKeyULCKEHCXUWSSEC-UHFFFAOYSA-N
XLogP1.94
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine (CID 66018882) is 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NCCC2CCCO2)c1N.
What is the InChIKey of 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
The InChIKey is ULCKEHCXUWSSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-11-12(14)13(17(2)16-11)15-8-7-10-6-4-9-18-10/h10,15H,3-9,14H2,1-2H3.
What are the key properties of 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66018882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).