(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone

C16H22N6O — CID 110451998

IUPAC(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccncc1)N1CCN(C(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C16H22N6O/c1-12(13-3-5-18-6-4-13)21-7-9-22(10-8-21)16(23)14-11-19-20(2)15(14)17/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyLFRQJOMVGIGGIW-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.92
Rot. Bonds3

About (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone

(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone (PubChem CID 110451998) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone
PubChem CID110451998
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccncc1)N1CCN(C(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C16H22N6O/c1-12(13-3-5-18-6-4-13)21-7-9-22(10-8-21)16(23)14-11-19-20(2)15(14)17/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyLFRQJOMVGIGGIW-UHFFFAOYSA-N
XLogP0.92
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460967
1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110459300
2,2-dimethyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460739
(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
CID 115330917
(5-amino-1-methylpyrazol-4-yl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone
CID 86790185
(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113288574
(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 104600720
(3-methylphenyl)-[4-[(1R)-1-pyridin-4-ylethyl]-1,4-diazepan-1-yl]methanone
CID 95621591
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330422

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone (CID 110451998) is (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone is CC(c1ccncc1)N1CCN(C(=O)c2cnn(C)c2N)CC1.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone?
The InChIKey is LFRQJOMVGIGGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12(13-3-5-18-6-4-13)21-7-9-22(10-8-21)16(23)14-11-19-20(2)15(14)17/h3-6,11-12H,7-10,17H2,1-2H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone?
(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110451998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).