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

C10H14N4O — CID 104600720

IUPAC(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCn1ncc(C(=O)N2CC=CCC2)c1N
InChIInChI=1S/C10H14N4O/c1-13-9(11)8(7-12-13)10(15)14-5-3-2-4-6-14/h2-3,7H,4-6,11H2,1H3
InChIKeyVIEQFWWGAZMXPE-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.40
Rot. Bonds1

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

(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 104600720) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID104600720
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCn1ncc(C(=O)N2CC=CCC2)c1N
InChIInChI=1S/C10H14N4O/c1-13-9(11)8(7-12-13)10(15)14-5-3-2-4-6-14/h2-3,7H,4-6,11H2,1H3
InChIKeyVIEQFWWGAZMXPE-UHFFFAOYSA-N
XLogP0.40
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
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(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
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(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
CID 115330917
(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone
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(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
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cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178404
(5-amino-1-methylpyrazol-4-yl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone
CID 86790185
(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113288616
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 104600720) is (5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is Cn1ncc(C(=O)N2CC=CCC2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is VIEQFWWGAZMXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-13-9(11)8(7-12-13)10(15)14-5-3-2-4-6-14/h2-3,7H,4-6,11H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 206.25 g/mol, XLogP of 0.40, 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)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 104600720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).