N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

C14H15N3O2 — CID 46412653

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)CCO3)n(C)n1
InChIInChI=1S/C14H15N3O2/c1-9-7-13(17(2)16-9)15-14(18)11-3-4-12-10(8-11)5-6-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)
InChIKeyVPFVGHMBROZUQZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.92
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 46412653) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID46412653
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)CCO3)n(C)n1
InChIInChI=1S/C14H15N3O2/c1-9-7-13(17(2)16-9)15-14(18)11-3-4-12-10(8-11)5-6-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)
InChIKeyVPFVGHMBROZUQZ-UHFFFAOYSA-N
XLogP1.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325652
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55891126
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 56573525
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 46581863
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614459
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
CID 114972651
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 46412653) is N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)CCO3)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is VPFVGHMBROZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-13(17(2)16-9)15-14(18)11-3-4-12-10(8-11)5-6-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 46412653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).