N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C16H17N3O2 — CID 119072224

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1n[nH]c2c1CCC2
InChIInChI=1S/C16H17N3O2/c20-16(15-12-2-1-3-13(12)18-19-15)17-9-10-4-5-14-11(8-10)6-7-21-14/h4-5,8H,1-3,6-7,9H2,(H,17,20)(H,18,19)
InChIKeyRNQJOFUAFPSSNE-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119072224) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID119072224
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1n[nH]c2c1CCC2
InChIInChI=1S/C16H17N3O2/c20-16(15-12-2-1-3-13(12)18-19-15)17-9-10-4-5-14-11(8-10)6-7-21-14/h4-5,8H,1-3,6-7,9H2,(H,17,20)(H,18,19)
InChIKeyRNQJOFUAFPSSNE-UHFFFAOYSA-N
XLogP1.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 119072224) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCc1ccc2c(c1)CCO2)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RNQJOFUAFPSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(15-12-2-1-3-13(12)18-19-15)17-9-10-4-5-14-11(8-10)6-7-21-14/h4-5,8H,1-3,6-7,9H2,(H,17,20)(H,18,19).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119072224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).