(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C18H22ClN3O3 — CID 146115593

IUPAC(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)CCOc3ccc(Cl)cc3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C18H22ClN3O3/c1-11-10-15-16(12(2)25-11)20-21-17(15)18(23)22(3)8-9-24-14-6-4-13(19)5-7-14/h4-7,11-12H,8-10H2,1-3H3,(H,20,21)/t11-,12+/m1/s1
InChIKeyFMJWHGOPAPDIGU-NEPJUHHUSA-N
MW363.85 g/mol
LogP3.24
Rot. Bonds5

About (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146115593) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146115593
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)CCOc3ccc(Cl)cc3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C18H22ClN3O3/c1-11-10-15-16(12(2)25-11)20-21-17(15)18(23)22(3)8-9-24-14-6-4-13(19)5-7-14/h4-7,11-12H,8-10H2,1-3H3,(H,20,21)/t11-,12+/m1/s1
InChIKeyFMJWHGOPAPDIGU-NEPJUHHUSA-N
XLogP3.24
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,7S)-N,5,7-trimethyl-N-(2-phenoxyethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115594
(5R,7S)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115299
(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
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601
(5S,7R)-N-[(5-methoxy-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115459
(5R,7S)-N,N-di(cyclobutyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111255
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952702
N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide
CID 75455669
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid
CID 66235220
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974426
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146115593) is (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)N(C)CCOc3ccc(Cl)cc3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is FMJWHGOPAPDIGU-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-11-10-15-16(12(2)25-11)20-21-17(15)18(23)22(3)8-9-24-14-6-4-13(19)5-7-14/h4-7,11-12H,8-10H2,1-3H3,(H,20,21)/t11-,12+/m1/s1.
What are the key properties of (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146115593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).