3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide

C20H20N4O2 — CID 99947024

IUPAC3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C[C@@H]1Cc2ccccc2O1)C(=O)c1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-24(12-15-11-14-9-5-6-10-16(14)26-15)20(25)18-17(19(21)23-22-18)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H3,21,22,23)/t15-/m0/s1
InChIKeyAYZAQYNGYJEEIX-HNNXBMFYSA-N
MW348.41 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide

3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 99947024) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID99947024
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C[C@@H]1Cc2ccccc2O1)C(=O)c1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-24(12-15-11-14-9-5-6-10-16(14)26-15)20(25)18-17(19(21)23-22-18)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H3,21,22,23)/t15-/m0/s1
InChIKeyAYZAQYNGYJEEIX-HNNXBMFYSA-N
XLogP2.73
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2,5-dimethyl-1H-imidazol-4-yl)-N-methylbenzamide;formic acid
CID 154911542
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 30956722
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 26401704
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90652025
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
CID 125161477
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95123892
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 29258499
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide (CID 99947024) is 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide is CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1[nH]nc(N)c1-c1ccccc1.
What is the InChIKey of 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is AYZAQYNGYJEEIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(12-15-11-14-9-5-6-10-16(14)26-15)20(25)18-17(19(21)23-22-18)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H3,21,22,23)/t15-/m0/s1.
What are the key properties of 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide?
3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99947024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).