5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine

C14H25N3O — CID 103556821

IUPAC5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine
SMILESCOC1(Cc2nn(C)c(N)c2CC(C)C)CCC1
InChIInChI=1S/C14H25N3O/c1-10(2)8-11-12(16-17(3)13(11)15)9-14(18-4)6-5-7-14/h10H,5-9,15H2,1-4H3
InChIKeyOSKBIAKSYKCSJO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.31
Rot. Bonds5

About 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine

5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine (PubChem CID 103556821) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine
PubChem CID103556821
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine
SMILESCOC1(Cc2nn(C)c(N)c2CC(C)C)CCC1
InChIInChI=1S/C14H25N3O/c1-10(2)8-11-12(16-17(3)13(11)15)9-14(18-4)6-5-7-14/h10H,5-9,15H2,1-4H3
InChIKeyOSKBIAKSYKCSJO-UHFFFAOYSA-N
XLogP2.31
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine?
The IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine (CID 103556821) is 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine.
What is the SMILES notation for 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine?
The canonical SMILES for 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine is COC1(Cc2nn(C)c(N)c2CC(C)C)CCC1.
What is the InChIKey of 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine?
The InChIKey is OSKBIAKSYKCSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)8-11-12(16-17(3)13(11)15)9-14(18-4)6-5-7-14/h10H,5-9,15H2,1-4H3.
What are the key properties of 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine?
5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine has a molecular weight of 251.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine is sourced from PubChem (CID 103556821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).