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

C10H14N4O — CID 106313234

IUPAC(4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2[nH]ncc2N)C1
InChIInChI=1S/C10H14N4O/c1-7-3-2-4-14(6-7)10(15)9-8(11)5-12-13-9/h3,5H,2,4,6,11H2,1H3,(H,12,13)
InChIKeyGJQHBUXAJKSWIN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.78
Rot. Bonds1

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

(4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106313234) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106313234
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2[nH]ncc2N)C1
InChIInChI=1S/C10H14N4O/c1-7-3-2-4-14(6-7)10(15)9-8(11)5-12-13-9/h3,5H,2,4,6,11H2,1H3,(H,12,13)
InChIKeyGJQHBUXAJKSWIN-UHFFFAOYSA-N
XLogP0.78
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.78
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-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106313234) is (4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCCN(C(=O)c2[nH]ncc2N)C1.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is GJQHBUXAJKSWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-3-2-4-14(6-7)10(15)9-8(11)5-12-13-9/h3,5H,2,4,6,11H2,1H3,(H,12,13).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 206.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106313234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).