(5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C14H22N4O — CID 104599423

IUPAC(5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCn1ncc(C(=O)N2CC=C(C(C)(C)C)CC2)c1N
InChIInChI=1S/C14H22N4O/c1-14(2,3)10-5-7-18(8-6-10)13(19)11-9-16-17(4)12(11)15/h5,9H,6-8,15H2,1-4H3
InChIKeyANMDZJVNOVFHEA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.82
Rot. Bonds1

About (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 104599423) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID104599423
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCn1ncc(C(=O)N2CC=C(C(C)(C)C)CC2)c1N
InChIInChI=1S/C14H22N4O/c1-14(2,3)10-5-7-18(8-6-10)13(19)11-9-16-17(4)12(11)15/h5,9H,6-8,15H2,1-4H3
InChIKeyANMDZJVNOVFHEA-UHFFFAOYSA-N
XLogP1.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 104599423) is (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is Cn1ncc(C(=O)N2CC=C(C(C)(C)C)CC2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is ANMDZJVNOVFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)10-5-7-18(8-6-10)13(19)11-9-16-17(4)12(11)15/h5,9H,6-8,15H2,1-4H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 104599423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).