(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide

C19H25N3O3 — CID 99973607

IUPAC(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCn1cccn1)O2
InChIInChI=1S/C19H25N3O3/c1-12-13(2)17-15(14(3)16(12)23)6-7-19(4,25-17)18(24)20-9-11-22-10-5-8-21-22/h5,8,10,23H,6-7,9,11H2,1-4H3,(H,20,24)/t19-/m1/s1
InChIKeyCDPFAEJUBIELPG-LJQANCHMSA-N
MW343.43 g/mol
LogP2.41
Rot. Bonds4

About (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide

(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide (PubChem CID 99973607) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide
PubChem CID99973607
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCn1cccn1)O2
InChIInChI=1S/C19H25N3O3/c1-12-13(2)17-15(14(3)16(12)23)6-7-19(4,25-17)18(24)20-9-11-22-10-5-8-21-22/h5,8,10,23H,6-7,9,11H2,1-4H3,(H,20,24)/t19-/m1/s1
InChIKeyCDPFAEJUBIELPG-LJQANCHMSA-N
XLogP2.41
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948200
6-hydroxy-2,5,7,8-tetramethyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydrochromene-2-carboxamide
CID 67262981
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
CID 124750425
N-[2-[[2-(1-aminoethylideneamino)acetyl]amino]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948563
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol
CID 25119045
(2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide
CID 72710875
2,5,7,8-tetramethyl-2-[(pyridin-4-ylamino)methyl]-3,4-dihydrochromen-6-ol
CID 10380818
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide
CID 67906530
1-carbamothioyl-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589627

Frequently Asked Questions

What is the IUPAC name of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide (CID 99973607) is (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCn1cccn1)O2.
What is the InChIKey of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide?
The InChIKey is CDPFAEJUBIELPG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-13(2)17-15(14(3)16(12)23)6-7-19(4,25-17)18(24)20-9-11-22-10-5-8-21-22/h5,8,10,23H,6-7,9,11H2,1-4H3,(H,20,24)/t19-/m1/s1.
What are the key properties of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide?
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 99973607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).