1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine

C13H23N3 — CID 103561898

IUPAC1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
SMILESCC(C)C1CC(Nc2cnn(C(C)C)c2)C1
InChIInChI=1S/C13H23N3/c1-9(2)11-5-12(6-11)15-13-7-14-16(8-13)10(3)4/h7-12,15H,5-6H2,1-4H3
InChIKeyNUMUBYJUBFSJCH-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.31
Rot. Bonds4

About 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine

1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine (PubChem CID 103561898) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
PubChem CID103561898
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
SMILESCC(C)C1CC(Nc2cnn(C(C)C)c2)C1
InChIInChI=1S/C13H23N3/c1-9(2)11-5-12(6-11)15-13-7-14-16(8-13)10(3)4/h7-12,15H,5-6H2,1-4H3
InChIKeyNUMUBYJUBFSJCH-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine?
The IUPAC name of 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine (CID 103561898) is 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine is CC(C)C1CC(Nc2cnn(C(C)C)c2)C1.
What is the InChIKey of 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine?
The InChIKey is NUMUBYJUBFSJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)11-5-12(6-11)15-13-7-14-16(8-13)10(3)4/h7-12,15H,5-6H2,1-4H3.
What are the key properties of 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine?
1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine is sourced from PubChem (CID 103561898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).