N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide

C18H21N5O — CID 70758517

IUPACN,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)Cc2cnc3ccccc3n2)n(C)n1
InChIInChI=1S/C18H21N5O/c1-4-7-13-10-17(23(3)21-13)18(24)22(2)12-14-11-19-15-8-5-6-9-16(15)20-14/h5-6,8-11H,4,7,12H2,1-3H3
InChIKeyQUOPQUMCKNLFCJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.59
Rot. Bonds5

About N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide

N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 70758517) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID70758517
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)Cc2cnc3ccccc3n2)n(C)n1
InChIInChI=1S/C18H21N5O/c1-4-7-13-10-17(23(3)21-13)18(24)22(2)12-14-11-19-15-8-5-6-9-16(15)20-14/h5-6,8-11H,4,7,12H2,1-3H3
InChIKeyQUOPQUMCKNLFCJ-UHFFFAOYSA-N
XLogP2.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide (CID 70758517) is N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide is CCCc1cc(C(=O)N(C)Cc2cnc3ccccc3n2)n(C)n1.
What is the InChIKey of N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is QUOPQUMCKNLFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-7-13-10-17(23(3)21-13)18(24)22(2)12-14-11-19-15-8-5-6-9-16(15)20-14/h5-6,8-11H,4,7,12H2,1-3H3.
What are the key properties of N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide?
N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-propyl-N-(quinoxalin-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70758517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).