N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide

C17H19N5O — CID 70712165

IUPACN-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(C)Cc2ccc3nccnc3c2)cn1
InChIInChI=1S/C17H19N5O/c1-12(2)22-11-14(9-20-22)17(23)21(3)10-13-4-5-15-16(8-13)19-7-6-18-15/h4-9,11-12H,10H2,1-3H3
InChIKeyHBYFWDFXEOBOET-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.68
Rot. Bonds4

About N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide

N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide (PubChem CID 70712165) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide
PubChem CID70712165
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(C)Cc2ccc3nccnc3c2)cn1
InChIInChI=1S/C17H19N5O/c1-12(2)22-11-14(9-20-22)17(23)21(3)10-13-4-5-15-16(8-13)19-7-6-18-15/h4-9,11-12H,10H2,1-3H3
InChIKeyHBYFWDFXEOBOET-UHFFFAOYSA-N
XLogP2.68
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide (CID 70712165) is N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide is CC(C)n1cc(C(=O)N(C)Cc2ccc3nccnc3c2)cn1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HBYFWDFXEOBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(2)22-11-14(9-20-22)17(23)21(3)10-13-4-5-15-16(8-13)19-7-6-18-15/h4-9,11-12H,10H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide?
N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 70712165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).