3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide

C19H24N4O2 — CID 97426636

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccc3c(c2)CCO3)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-2-23-8-3-4-15(23)12-20-19(24)17-11-16(21-22-17)13-5-6-18-14(10-13)7-9-25-18/h5-6,10-11,15H,2-4,7-9,12H2,1H3,(H,20,24)(H,21,22)/t15-/m1/s1
InChIKeyBYPIJJPNQKLFRE-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.23
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 97426636) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID97426636
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccc3c(c2)CCO3)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-2-23-8-3-4-15(23)12-20-19(24)17-11-16(21-22-17)13-5-6-18-14(10-13)7-9-25-18/h5-6,10-11,15H,2-4,7-9,12H2,1H3,(H,20,24)(H,21,22)/t15-/m1/s1
InChIKeyBYPIJJPNQKLFRE-OAHLLOKOSA-N
XLogP2.23
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 46092056
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71829439
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 70549576
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 94173368
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 10381344
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53362046
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 94480381
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 110205762
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide;phosphoric acid
CID 20544695
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide (CID 97426636) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccc3c(c2)CCO3)n[nH]1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BYPIJJPNQKLFRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-23-8-3-4-15(23)12-20-19(24)17-11-16(21-22-17)13-5-6-18-14(10-13)7-9-25-18/h5-6,10-11,15H,2-4,7-9,12H2,1H3,(H,20,24)(H,21,22)/t15-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97426636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).