(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C13H20N4O — CID 114172204

IUPAC(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCCc1[nH]nc(C(=O)N2CCC=C(C)C2)c1N
InChIInChI=1S/C13H20N4O/c1-3-5-10-11(14)12(16-15-10)13(18)17-7-4-6-9(2)8-17/h6H,3-5,7-8,14H2,1-2H3,(H,15,16)
InChIKeyYCIGAKRRHWLCJO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.74
Rot. Bonds3

About (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114172204) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114172204
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCCc1[nH]nc(C(=O)N2CCC=C(C)C2)c1N
InChIInChI=1S/C13H20N4O/c1-3-5-10-11(14)12(16-15-10)13(18)17-7-4-6-9(2)8-17/h6H,3-5,7-8,14H2,1-2H3,(H,15,16)
InChIKeyYCIGAKRRHWLCJO-UHFFFAOYSA-N
XLogP1.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114172204) is (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CCCc1[nH]nc(C(=O)N2CCC=C(C)C2)c1N.
What is the InChIKey of (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is YCIGAKRRHWLCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-5-10-11(14)12(16-15-10)13(18)17-7-4-6-9(2)8-17/h6H,3-5,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114172204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).