(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H18N4O2 — CID 95141743

IUPAC(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccn(CCc2ccccn2)n1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H18N4O2/c24-19(17-13-14-5-1-2-7-16(14)25-17)21-18-9-12-23(22-18)11-8-15-6-3-4-10-20-15/h1-7,9-10,12,17H,8,11,13H2,(H,21,22,24)/t17-/m0/s1
InChIKeyJUFKILHXKAGKSX-KRWDZBQOSA-N
MW334.38 g/mol
LogP2.46
Rot. Bonds5

About (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 95141743) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID95141743
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccn(CCc2ccccn2)n1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H18N4O2/c24-19(17-13-14-5-1-2-7-16(14)25-17)21-18-9-12-23(22-18)11-8-15-6-3-4-10-20-15/h1-7,9-10,12,17H,8,11,13H2,(H,21,22,24)/t17-/m0/s1
InChIKeyJUFKILHXKAGKSX-KRWDZBQOSA-N
XLogP2.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 119231000
(2R,3S)-2-methyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52537582
(3S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94811681
2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
CID 49497172
N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 62353915
methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 49496908
2-[3-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569905
2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide
CID 47088292
2-[3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 119230778
N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 90649003
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098013
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 95141743) is (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccn(CCc2ccccn2)n1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JUFKILHXKAGKSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(17-13-14-5-1-2-7-16(14)25-17)21-18-9-12-23(22-18)11-8-15-6-3-4-10-20-15/h1-7,9-10,12,17H,8,11,13H2,(H,21,22,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95141743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).