1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide

C18H28N4O2 — CID 91779580

IUPAC1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)c1C
InChIInChI=1S/C18H28N4O2/c1-4-22-12(3)14(11(2)20-22)18(23)19-15-13-7-10-24-17(13)16(15)21-8-5-6-9-21/h13,15-17H,4-10H2,1-3H3,(H,19,23)/t13-,15+,16-,17-/m1/s1
InChIKeyBDRNSMLCVBGFMU-XLNGHYISSA-N
MW332.45 g/mol
LogP1.50
Rot. Bonds4

About 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide

1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide (PubChem CID 91779580) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide
PubChem CID91779580
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)c1C
InChIInChI=1S/C18H28N4O2/c1-4-22-12(3)14(11(2)20-22)18(23)19-15-13-7-10-24-17(13)16(15)21-8-5-6-9-21/h13,15-17H,4-10H2,1-3H3,(H,19,23)/t13-,15+,16-,17-/m1/s1
InChIKeyBDRNSMLCVBGFMU-XLNGHYISSA-N
XLogP1.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-ethyl-3,5-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazole-4-carboxamide
CID 91797549
3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide
CID 91761664
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91790453
2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91789516
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide
CID 91781950
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 110127328
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91769076
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91763710
1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 118775675
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 133267455
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide (CID 91779580) is 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide is CCn1nc(C)c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide?
The InChIKey is BDRNSMLCVBGFMU-XLNGHYISSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-22-12(3)14(11(2)20-22)18(23)19-15-13-7-10-24-17(13)16(15)21-8-5-6-9-21/h13,15-17H,4-10H2,1-3H3,(H,19,23)/t13-,15+,16-,17-/m1/s1.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide?
1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 91779580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).