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

C13H20N4O — CID 114407210

IUPAC(4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCCc1[nH]nc(C(=O)N2CC=C(C)CC2)c1N
InChIInChI=1S/C13H20N4O/c1-3-4-10-11(14)12(16-15-10)13(18)17-7-5-9(2)6-8-17/h5H,3-4,6-8,14H2,1-2H3,(H,15,16)
InChIKeyIIRQLUMTLXWHBD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.74
Rot. Bonds3

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

(4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114407210) 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)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114407210
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCCc1[nH]nc(C(=O)N2CC=C(C)CC2)c1N
InChIInChI=1S/C13H20N4O/c1-3-4-10-11(14)12(16-15-10)13(18)17-7-5-9(2)6-8-17/h5H,3-4,6-8,14H2,1-2H3,(H,15,16)
InChIKeyIIRQLUMTLXWHBD-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'}

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

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Launch Full Analysis

Related Compounds

(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172204
1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 62075601
4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66084844
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114407510
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-5-propyl-1H-pyrazol-3-yl)methanone
CID 62077104
methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 62076260
(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62075457
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114407210) is (4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CCCc1[nH]nc(C(=O)N2CC=C(C)CC2)c1N.
What is the InChIKey of (4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is IIRQLUMTLXWHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-4-10-11(14)12(16-15-10)13(18)17-7-5-9(2)6-8-17/h5H,3-4,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of (4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-amino-5-propyl-1H-pyrazol-3-yl)-(4-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)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114407210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).