5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C13H24N4O — CID 114118785

IUPAC5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCOC1(CNc2c(N)c(C(C)C)nn2C)CCC1
InChIInChI=1S/C13H24N4O/c1-9(2)11-10(14)12(17(3)16-11)15-8-13(18-4)6-5-7-13/h9,15H,5-8,14H2,1-4H3
InChIKeyAXWZHZBPWKIDIJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.11
Rot. Bonds5

About 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 114118785) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID114118785
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCOC1(CNc2c(N)c(C(C)C)nn2C)CCC1
InChIInChI=1S/C13H24N4O/c1-9(2)11-10(14)12(17(3)16-11)15-8-13(18-4)6-5-7-13/h9,15H,5-8,14H2,1-4H3
InChIKeyAXWZHZBPWKIDIJ-UHFFFAOYSA-N
XLogP2.11
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 114118785) is 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is COC1(CNc2c(N)c(C(C)C)nn2C)CCC1.
What is the InChIKey of 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is AXWZHZBPWKIDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)11-10(14)12(17(3)16-11)15-8-13(18-4)6-5-7-13/h9,15H,5-8,14H2,1-4H3.
What are the key properties of 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 114118785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).