1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine

C15H22N4O — CID 66012554

IUPAC1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine
SMILESCC(C)c1nn(C)c(OCCCc2ccncc2)c1N
InChIInChI=1S/C15H22N4O/c1-11(2)14-13(16)15(19(3)18-14)20-10-4-5-12-6-8-17-9-7-12/h6-9,11H,4-5,10,16H2,1-3H3
InChIKeyNSJFGKUCTTYZTM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.53
Rot. Bonds6

About 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine

1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine (PubChem CID 66012554) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine
PubChem CID66012554
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine
SMILESCC(C)c1nn(C)c(OCCCc2ccncc2)c1N
InChIInChI=1S/C15H22N4O/c1-11(2)14-13(16)15(19(3)18-14)20-10-4-5-12-6-8-17-9-7-12/h6-9,11H,4-5,10,16H2,1-3H3
InChIKeyNSJFGKUCTTYZTM-UHFFFAOYSA-N
XLogP2.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine (CID 66012554) is 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine is CC(C)c1nn(C)c(OCCCc2ccncc2)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine?
The InChIKey is NSJFGKUCTTYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)14-13(16)15(19(3)18-14)20-10-4-5-12-6-8-17-9-7-12/h6-9,11H,4-5,10,16H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine?
1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine is sourced from PubChem (CID 66012554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).