N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide

C15H14N4O — CID 43546417

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H14N4O/c1-9-14(10(2)19-18-9)17-15(20)13-8-7-11-5-3-4-6-12(11)16-13/h3-8H,1-2H3,(H,17,20)(H,18,19)
InChIKeyVAVLIAAXWUZDBM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.83
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 43546417) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide
PubChem CID43546417
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H14N4O/c1-9-14(10(2)19-18-9)17-15(20)13-8-7-11-5-3-4-6-12(11)16-13/h3-8H,1-2H3,(H,17,20)(H,18,19)
InChIKeyVAVLIAAXWUZDBM-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide (CID 43546417) is N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is VAVLIAAXWUZDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-14(10(2)19-18-9)17-15(20)13-8-7-11-5-3-4-6-12(11)16-13/h3-8H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 43546417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).