N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C16H19N3O3 — CID 71870034

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCn1cc(C(C)(O)CNC(=O)C2COc3ccccc32)cn1
InChIInChI=1S/C16H19N3O3/c1-16(21,11-7-18-19(2)8-11)10-17-15(20)13-9-22-14-6-4-3-5-12(13)14/h3-8,13,21H,9-10H2,1-2H3,(H,17,20)
InChIKeyMPXDSTZGCLHVLK-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.92
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 71870034) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID71870034
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCn1cc(C(C)(O)CNC(=O)C2COc3ccccc32)cn1
InChIInChI=1S/C16H19N3O3/c1-16(21,11-7-18-19(2)8-11)10-17-15(20)13-9-22-14-6-4-3-5-12(13)14/h3-8,13,21H,9-10H2,1-2H3,(H,17,20)
InChIKeyMPXDSTZGCLHVLK-UHFFFAOYSA-N
XLogP0.92
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103840148
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide
CID 111458418
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213485
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 111457992
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-[cyclopropyl(phenyl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457983
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dimethylbenzamide
CID 111458743

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 71870034) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide is Cn1cc(C(C)(O)CNC(=O)C2COc3ccccc32)cn1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is MPXDSTZGCLHVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(21,11-7-18-19(2)8-11)10-17-15(20)13-9-22-14-6-4-3-5-12(13)14/h3-8,13,21H,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71870034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).