(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C19H24ClN3O3 — CID 146093365

IUPAC(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)N(C)CCOc2ccc(Cl)cc2)[C@H](C)O1
InChIInChI=1S/C19H24ClN3O3/c1-12-11-16-17(13(2)26-12)21-23(4)18(16)19(24)22(3)9-10-25-15-7-5-14(20)6-8-15/h5-8,12-13H,9-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyIBKAWVWDBJNCSY-OLZOCXBDSA-N
MW377.87 g/mol
LogP3.25
Rot. Bonds5

About (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093365) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093365
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)N(C)CCOc2ccc(Cl)cc2)[C@H](C)O1
InChIInChI=1S/C19H24ClN3O3/c1-12-11-16-17(13(2)26-12)21-23(4)18(16)19(24)22(3)9-10-25-15-7-5-14(20)6-8-15/h5-8,12-13H,9-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyIBKAWVWDBJNCSY-OLZOCXBDSA-N
XLogP3.25
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115593
(5S,7R)-N-[2-(2-cyanophenoxy)ethyl]-2-ethyl-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100299
(5R,7S)-N,5,7-trimethyl-N-(2-phenoxyethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115594
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid
CID 66235220
[5-(dimethylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093592
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26893308
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78770446
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974426

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093365) is (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is C[C@@H]1Cc2c(nn(C)c2C(=O)N(C)CCOc2ccc(Cl)cc2)[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is IBKAWVWDBJNCSY-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-12-11-16-17(13(2)26-12)21-23(4)18(16)19(24)22(3)9-10-25-15-7-5-14(20)6-8-15/h5-8,12-13H,9-11H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).