N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide

C17H24N6O — CID 71917825

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cnc(-n3cccn3)cn2)CC1
InChIInChI=1S/C17H24N6O/c1-14-4-10-22(11-5-14)8-2-6-18-17(24)15-12-20-16(13-19-15)23-9-3-7-21-23/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3,(H,18,24)
InChIKeyQQTICNOSWQVXTL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.51
Rot. Bonds6

About N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide (PubChem CID 71917825) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
PubChem CID71917825
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cnc(-n3cccn3)cn2)CC1
InChIInChI=1S/C17H24N6O/c1-14-4-10-22(11-5-14)8-2-6-18-17(24)15-12-20-16(13-19-15)23-9-3-7-21-23/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3,(H,18,24)
InChIKeyQQTICNOSWQVXTL-UHFFFAOYSA-N
XLogP1.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide (CID 71917825) is N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide is CC1CCN(CCCNC(=O)c2cnc(-n3cccn3)cn2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide?
The InChIKey is QQTICNOSWQVXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14-4-10-22(11-5-14)8-2-6-18-17(24)15-12-20-16(13-19-15)23-9-3-7-21-23/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3,(H,18,24).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 71917825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).