N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

C19H25N5O — CID 134709113

IUPACN-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN1CCC(n2nccc2NC(=O)c2cnc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H25N5O/c1-23-10-7-16(8-11-23)24-18(6-9-21-24)22-19(25)15-12-14-4-2-3-5-17(14)20-13-15/h6,9,12-13,16H,2-5,7-8,10-11H2,1H3,(H,22,25)
InChIKeyPHGVLPKYGFEAEA-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.68
Rot. Bonds3

About N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 134709113) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID134709113
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN1CCC(n2nccc2NC(=O)c2cnc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H25N5O/c1-23-10-7-16(8-11-23)24-18(6-9-21-24)22-19(25)15-12-14-4-2-3-5-17(14)20-13-15/h6,9,12-13,16H,2-5,7-8,10-11H2,1H3,(H,22,25)
InChIKeyPHGVLPKYGFEAEA-UHFFFAOYSA-N
XLogP2.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 134709113) is N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is CN1CCC(n2nccc2NC(=O)c2cnc3c(c2)CCCC3)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is PHGVLPKYGFEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23-10-7-16(8-11-23)24-18(6-9-21-24)22-19(25)15-12-14-4-2-3-5-17(14)20-13-15/h6,9,12-13,16H,2-5,7-8,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 134709113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).