3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C16H15N5O2 — CID 71829439

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)cn1
InChIInChI=1S/C16H15N5O2/c1-21-9-12(8-17-21)18-16(22)14-7-13(19-20-14)10-2-3-15-11(6-10)4-5-23-15/h2-3,6-9H,4-5H2,1H3,(H,18,22)(H,19,20)
InChIKeyYNLHRRCRKXLABE-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.00
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 71829439) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID71829439
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)cn1
InChIInChI=1S/C16H15N5O2/c1-21-9-12(8-17-21)18-16(22)14-7-13(19-20-14)10-2-3-15-11(6-10)4-5-23-15/h2-3,6-9H,4-5H2,1H3,(H,18,22)(H,19,20)
InChIKeyYNLHRRCRKXLABE-UHFFFAOYSA-N
XLogP2.00
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704
3-(1,3-benzodioxol-5-yl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513484
methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71828282
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97426636
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 110205762
3-(1,3-benzodioxol-5-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513379
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 122131901
N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155536349
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
3-(1,3-benzodioxol-5-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19513308

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 71829439) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cn1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)cn1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YNLHRRCRKXLABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-21-9-12(8-17-21)18-16(22)14-7-13(19-20-14)10-2-3-15-11(6-10)4-5-23-15/h2-3,6-9H,4-5H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71829439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).